3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline

C54H40N2 — CID 134320780

IUPAC3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)cc23)CC1
InChIInChI=1S/C54H40N2/c1-5-15-39(16-6-1)41-25-30-46(31-26-41)55(47-32-27-42(28-33-47)40-17-7-2-8-18-40)48-34-35-49(51(38-48)43-19-9-3-10-20-43)44-29-36-54-52(37-44)50-23-13-14-24-53(50)56(54)45-21-11-4-12-22-45/h1-13,15-23,25-38H,14,24H2
InChIKeyVPCZMEWHOGJRNI-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.73
Rot. Bonds8

About 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline

3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 134320780) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID134320780
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC Name3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)cc23)CC1
InChIInChI=1S/C54H40N2/c1-5-15-39(16-6-1)41-25-30-46(31-26-41)55(47-32-27-42(28-33-47)40-17-7-2-8-18-40)48-34-35-49(51(38-48)43-19-9-3-10-20-43)44-29-36-54-52(37-44)50-23-13-14-24-53(50)56(54)45-21-11-4-12-22-45/h1-13,15-23,25-38H,14,24H2
InChIKeyVPCZMEWHOGJRNI-UHFFFAOYSA-N
XLogP14.73
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
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-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
N,7-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3,4-dihydrobenzo[g]carbazol-9-amine
CID 145362267
N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 170273206
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]aniline
CID 167195042
N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine
CID 144831039
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine
CID 168814011
N-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline
CID 170273179

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline (CID 134320780) is 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline is C1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is VPCZMEWHOGJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-5-15-39(16-6-1)41-25-30-46(31-26-41)55(47-32-27-42(28-33-47)40-17-7-2-8-18-40)48-34-35-49(51(38-48)43-19-9-3-10-20-43)44-29-36-54-52(37-44)50-23-13-14-24-53(50)56(54)45-21-11-4-12-22-45/h1-13,15-23,25-38H,14,24H2.
What are the key properties of 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline?
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 716.93 g/mol, XLogP of 14.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 134320780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).