4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole

C54H39N2OP — CID 163512685

IUPAC4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2c2ccccc2n3-c2cccc(-c3ccc4c(c3)c3c(n4-c4ccccc4)CCC=C3)c2)cc1
InChIInChI=1S/C54H39N2OP/c57-58(43-20-6-2-7-21-43,44-22-8-3-9-23-44)45-33-30-38(31-34-45)46-26-15-29-53-54(46)48-25-11-13-28-51(48)56(53)42-19-14-16-39(36-42)40-32-35-52-49(37-40)47-24-10-12-27-50(47)55(52)41-17-4-1-5-18-41/h1-11,13-26,28-37H,12,27H2
InChIKeyDEAIEGRQKFREBO-UHFFFAOYSA-N
MW762.89 g/mol
LogP12.66
Rot. Bonds7

About 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole

4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole (PubChem CID 163512685) has the molecular formula C54H39N2OP and a molecular weight of 762.89 g/mol. Its IUPAC name is 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole
PubChem CID163512685
Molecular FormulaC54H39N2OP
Molecular Weight762.89 g/mol
Exact Mass762.28
IUPAC Name4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2c2ccccc2n3-c2cccc(-c3ccc4c(c3)c3c(n4-c4ccccc4)CCC=C3)c2)cc1
InChIInChI=1S/C54H39N2OP/c57-58(43-20-6-2-7-21-43,44-22-8-3-9-23-44)45-33-30-38(31-34-45)46-26-15-29-53-54(46)48-25-11-13-28-51(48)56(53)42-19-14-16-39(36-42)40-32-35-52-49(37-40)47-24-10-12-27-50(47)55(52)41-17-4-1-5-18-41/h1-11,13-26,28-37H,12,27H2
InChIKeyDEAIEGRQKFREBO-UHFFFAOYSA-N
XLogP12.66
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.89
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-[9-[3-(1,2-dihydrocarbazol-9-yl)phenyl]carbazol-4-yl]-9-methylcarbazole
CID 163941153
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]phenyl]-7,8-dihydrocarbazol-3-yl]phenyl]fluoren-2-amine
CID 170420745
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
14-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 170123117

Frequently Asked Questions

What is the IUPAC name of 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole (CID 163512685) is 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2c2ccccc2n3-c2cccc(-c3ccc4c(c3)c3c(n4-c4ccccc4)CCC=C3)c2)cc1.
What is the InChIKey of 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole?
The InChIKey is DEAIEGRQKFREBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N2OP/c57-58(43-20-6-2-7-21-43,44-22-8-3-9-23-44)45-33-30-38(31-34-45)46-26-15-29-53-54(46)48-25-11-13-28-51(48)56(53)42-19-14-16-39(36-42)40-32-35-52-49(37-40)47-24-10-12-27-50(47)55(52)41-17-4-1-5-18-41/h1-11,13-26,28-37H,12,27H2.
What are the key properties of 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole?
4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole has a molecular weight of 762.89 g/mol, XLogP of 12.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 163512685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).