5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide

C42H29N2OP — CID 162698967

IUPAC5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide
SMILESO=P1(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccccc2N1c1ccccc1
InChIInChI=1S/C42H29N2OP/c45-46(34-18-8-3-9-19-34)42-27-25-31(29-38(42)36-21-11-13-23-41(36)44(46)33-16-6-2-7-17-33)30-24-26-40-37(28-30)35-20-10-12-22-39(35)43(40)32-14-4-1-5-15-32/h1-29H
InChIKeyBNNDQNCSOQSFFQ-UHFFFAOYSA-N
MW608.68 g/mol
LogP10.50
Rot. Bonds4

About 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide

5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide (PubChem CID 162698967) has the molecular formula C42H29N2OP and a molecular weight of 608.68 g/mol. Its IUPAC name is 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide.

Molecular Properties

Compound Name5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide
PubChem CID162698967
Molecular FormulaC42H29N2OP
Molecular Weight608.68 g/mol
Exact Mass608.20
IUPAC Name5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide
SMILESO=P1(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccccc2N1c1ccccc1
InChIInChI=1S/C42H29N2OP/c45-46(34-18-8-3-9-19-34)42-27-25-31(29-38(42)36-21-11-13-23-41(36)44(46)33-16-6-2-7-17-33)30-24-26-40-37(28-30)35-20-10-12-22-39(35)43(40)32-14-4-1-5-15-32/h1-29H
InChIKeyBNNDQNCSOQSFFQ-UHFFFAOYSA-N
XLogP10.50
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.68
LogP ≤ 510.50
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

3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535949
2-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399956
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole
CID 147763245
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide?
The IUPAC name of 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide (CID 162698967) is 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide.
What is the SMILES notation for 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide?
The canonical SMILES for 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide is O=P1(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccccc2N1c1ccccc1.
What is the InChIKey of 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide?
The InChIKey is BNNDQNCSOQSFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N2OP/c45-46(34-18-8-3-9-19-34)42-27-25-31(29-38(42)36-21-11-13-23-41(36)44(46)33-16-6-2-7-17-33)30-24-26-40-37(28-30)35-20-10-12-22-39(35)43(40)32-14-4-1-5-15-32/h1-29H.
What are the key properties of 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide?
5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide has a molecular weight of 608.68 g/mol, XLogP of 10.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide is sourced from PubChem (CID 162698967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).