9-{2-[bis(propan-2-yl)phosphanyl]phenyl}-9H-carbazole

• ChemBase ID: 144558
• Molecular Formular: C24H26NP
• Molecular Mass: 359.443701
• Monoisotopic Mass: 359.18028647
• SMILES: CC(C)P(c1ccccc1n1c2ccccc2c2c1cccc2)C(C)C
• Canonical SMILES: CC(P(c1ccccc1n1c2ccccc2c2c1cccc2)C(C)C)C
• InChI: InChI=1S/C24H26NP/c1-17(2)26(18(3)4)24-16-10-9-15-23(24)25-21-13-7-5-11-19(21)20-12-6-8-14-22(20)25/h5-18H,1-4H3
• InChIKey: LVZFAAVQZRSWHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{2-[bis(propan-2-yl)phosphanyl]phenyl}-9H-carbazole
• IUPAC Traditional name: 9-[2-(diisopropylphosphanyl)phenyl]carbazole
• Synonyms: 9-[2-(Diisopropylphosphino)phenyl]-9H-carbazole

Database IDs

• CAS Number: 1308652-65-4
• MDL Number: MFCD20527206
• PubChem SID: 162238770
• PubChem CID: 71311101

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8563204
• LogD (pH = 7.4): 6.0675483
• Log P: 6.1738
• Molar Refractivity: 122.7119 cm^3
• Polarizability: 47.408566 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 145-149 °C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C24H26NP

DETAILS

Sigma Aldrich - 754536

Packaging
2 g in glass bottle
500 mg in glass bottle