6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole

C46H32NOP — CID 134552769

IUPAC6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3cc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C46H32NOP/c48-49(38-17-6-2-7-18-38,39-19-8-3-9-20-39)40-30-26-35(27-31-40)45-41-21-11-10-16-36(41)32-43-42-22-12-13-23-44(42)47(46(43)45)37-28-24-34(25-29-37)33-14-4-1-5-15-33/h1-32H
InChIKeySHGFUZJDXVYFNC-UHFFFAOYSA-N
MW645.74 g/mol
LogP10.91
Rot. Bonds6

About 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole

6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole (PubChem CID 134552769) has the molecular formula C46H32NOP and a molecular weight of 645.74 g/mol. Its IUPAC name is 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole.

Molecular Properties

Compound Name6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
PubChem CID134552769
Molecular FormulaC46H32NOP
Molecular Weight645.74 g/mol
Exact Mass645.22
IUPAC Name6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3cc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C46H32NOP/c48-49(38-17-6-2-7-18-38,39-19-8-3-9-20-39)40-30-26-35(27-31-40)45-41-21-11-10-16-36(41)32-43-42-22-12-13-23-44(42)47(46(43)45)37-28-24-34(25-29-37)33-14-4-1-5-15-33/h1-32H
InChIKeySHGFUZJDXVYFNC-UHFFFAOYSA-N
XLogP10.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.74
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
CID 134552398
N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
CID 134552415
N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline
CID 134552399
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552606
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 134552523
6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552471
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552694
10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 146368949
9,9-dimethyl-N-phenyl-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]fluoren-2-amine
CID 134552429

Frequently Asked Questions

What is the IUPAC name of 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole?
The IUPAC name of 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole (CID 134552769) is 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole.
What is the SMILES notation for 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole?
The canonical SMILES for 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3cc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c23)cc1.
What is the InChIKey of 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole?
The InChIKey is SHGFUZJDXVYFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32NOP/c48-49(38-17-6-2-7-18-38,39-19-8-3-9-20-39)40-30-26-35(27-31-40)45-41-21-11-10-16-36(41)32-43-42-22-12-13-23-44(42)47(46(43)45)37-28-24-34(25-29-37)33-14-4-1-5-15-33/h1-32H.
What are the key properties of 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole?
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole has a molecular weight of 645.74 g/mol, XLogP of 10.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole is sourced from PubChem (CID 134552769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).