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14325-24-7 molecular structure
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9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[17.17.3.1^{10,17}.1^{28,35}.0^{2,7}.0^{8,37}.0^{11,16}.0^{20,25}.0^{26,39}.0^{29,34}]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

ChemBase ID: 112048
Molecular Formular: C32H16MnN8
Molecular Mass: 567.461089
Monoisotopic Mass: 567.08783765
SMILES and InChIs

SMILES:
c1cc2c(cc1)c1N=C3N=C(N=c4c5ccccc5c5=NC6=NC(=Nc2n1[Mn]n45)c1ccccc61)c1ccccc31
Canonical SMILES:
c1ccc2c(c1)C1=NC2=Nc2c3ccccc3c3n2[Mn]n2c(=N1)c1ccccc1c2=NC1=NC(=N3)c2c1cccc2
InChI:
InChI=1S/C32H16N8.Mn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
InChIKey:
ICIFYHOILPYQKB-UHFFFAOYSA-N

Cite this record

CBID:112048 http://www.chembase.cn/molecule-112048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[17.17.3.1^{10,17}.1^{28,35}.0^{2,7}.0^{8,37}.0^{11,16}.0^{20,25}.0^{26,39}.0^{29,34}]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
(9Z,18Z,26Z,35Z)-9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
IUPAC Traditional name
9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[17.17.3.1^{10,17}.1^{28,35}.0^{2,7}.0^{8,37}.0^{11,16}.0^{20,25}.0^{26,39}.0^{29,34}]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
(9Z,18Z,26Z,35Z)-9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
Synonyms
PHTHALOCYANINE, MANGANESE
Manganese(II) phthalocyanine
CAS Number
14325-24-7
EC Number
231-105-1
PubChem SID
162097438
PubChem CID
2735074
Wikipedia Title
Manganese(II)_phthalocyanine

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.2627993  LogD (pH = 7.4) 6.2628 
Log P 6.2628  Molar Refractivity 156.9528 cm3
Polarizability 64.23765 Å3 Polar Surface Area 87.2 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

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DETAILS

DETAILS

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MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

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