N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

C54H40N2 — CID 167211221

IUPACN-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESC1=Cc2c(n(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc(-c7ccccc7)c6)cc5)cc4)c3)c3ccccc23)CC1
InChIInChI=1S/C54H40N2/c1-3-13-39(14-4-1)41-25-31-47(32-26-41)55(48-33-27-42(28-34-48)45-18-11-17-44(37-45)40-15-5-2-6-16-40)49-35-29-43(30-36-49)46-19-12-20-50(38-46)56-53-23-9-7-21-51(53)52-22-8-10-24-54(52)56/h1-9,11-23,25-38H,10,24H2
InChIKeyPAOQUMLXJIIACO-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.73
Rot. Bonds8

About N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 167211221) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID167211221
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC NameN-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESC1=Cc2c(n(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc(-c7ccccc7)c6)cc5)cc4)c3)c3ccccc23)CC1
InChIInChI=1S/C54H40N2/c1-3-13-39(14-4-1)41-25-31-47(32-26-41)55(48-33-27-42(28-34-48)45-18-11-17-44(37-45)40-15-5-2-6-16-40)49-35-29-43(30-36-49)46-19-12-20-50(38-46)56-53-23-9-7-21-51(53)52-22-8-10-24-54(52)56/h1-9,11-23,25-38H,10,24H2
InChIKeyPAOQUMLXJIIACO-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-[4-[3-(1,2-dihydrocarbazol-9-yl)-5-phenanthren-2-ylphenyl]phenyl]-N,4-diphenylaniline
CID 170273179
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 166571246
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 134320780
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
7-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 153329342
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498
N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155323237
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)-5-phenanthren-9-ylphenyl]phenyl]-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 170273206
10-[3-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]acridin-9-one
CID 122425533
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 167211221) is N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is C1=Cc2c(n(-c3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc(-c7ccccc7)c6)cc5)cc4)c3)c3ccccc23)CC1.
What is the InChIKey of N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is PAOQUMLXJIIACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-3-13-39(14-4-1)41-25-31-47(32-26-41)55(48-33-27-42(28-34-48)45-18-11-17-44(37-45)40-15-5-2-6-16-40)49-35-29-43(30-36-49)46-19-12-20-50(38-46)56-53-23-9-7-21-51(53)52-22-8-10-24-54(52)56/h1-9,11-23,25-38H,10,24H2.
What are the key properties of N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]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 N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167211221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).