N-[8-(diethylamino)-12H-10-oxa-5-azatetraphen-12-ylidene]naphthalene-2-carboxamide

• ChemBase ID: 156187
• Molecular Formular: C31H25N3O2
• Molecular Mass: 471.5491
• Monoisotopic Mass: 471.19467706
• SMILES: CCN(CC)c1ccc2c(c1)oc1c/c(=N\C(=O)c3ccc4ccccc4c3)/c3ccccc3c1n2
• Canonical SMILES: CCN(c1ccc2c(c1)oc1c(n2)c2ccccc2/c(=N/C(=O)c2ccc3c(c2)cccc3)/c1)CC
• InChI: InChI=1S/C31H25N3O2/c1-3-34(4-2)23-15-16-26-28(18-23)36-29-19-27(24-11-7-8-12-25(24)30(29)32-26)33-31(35)22-14-13-20-9-5-6-10-21(20)17-22/h5-19H,3-4H2,1-2H3
• InChIKey: KISNZWYZDRRYKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[8-(diethylamino)-12H-10-oxa-5-azatetraphen-12-ylidene]naphthalene-2-carboxamide
• IUPAC Traditional name: N-[8-(diethylamino)-10-oxa-5-azatetraphen-12-ylidene]naphthalene-2-carboxamide
• Synonyms: 9-(Diethylamino)-5-(2-naphthoylimino)-5H-benzo[a]phenoxazine; Chromoionophore V; 9-(二乙胺基)-5-(2-萘甲酰亚氨基)-5H-苯并[a]吩噁嗪; 生色离子载体 V

Database IDs

• CAS Number: 132097-01-9
• MDL Number: MFCD00213823
• PubChem SID: 24856414; 162250325
• PubChem CID: 3664990

CALCULATED PROPERTIES

• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.21593
• LogD (pH = 7.4): 6.2266316
• Log P: 6.2267694
• Molar Refractivity: 147.5676 cm^3
• Polarizability: 55.232105 Å^3

PROPERTIES

Physical Property

• Melting Point: 208-212 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: Selectophore™
• Empirical Formula (Hill Notation): C31H25N3O2

DETAILS

Sigma Aldrich - 27092

General description
Visit our Sensor Applications portal to learn more.
Other Notes
Chromoionophore used in amperometric biosensors1,2
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH