9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine

C48H40N2 — CID 163478343

IUPAC9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)CCCCC4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C48H40N2/c1-5-15-36(16-6-1)37-23-27-41(28-24-37)49(42-29-25-39(26-30-42)48(33-13-4-14-34-48)38-17-7-2-8-18-38)43-31-32-45-44-21-11-12-22-46(44)50(47(45)35-43)40-19-9-3-10-20-40/h1-3,5-12,15-32,35H,4,13-14,33-34H2
InChIKeyWXRZQDJMVRDYAW-UHFFFAOYSA-N
MW644.86 g/mol
LogP13.17
Rot. Bonds7

About 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine

9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 163478343) has the molecular formula C48H40N2 and a molecular weight of 644.86 g/mol. Its IUPAC name is 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID163478343
Molecular FormulaC48H40N2
Molecular Weight644.86 g/mol
Exact Mass644.32
IUPAC Name9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)CCCCC4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C48H40N2/c1-5-15-36(16-6-1)37-23-27-41(28-24-37)49(42-29-25-39(26-30-42)48(33-13-4-14-34-48)38-17-7-2-8-18-38)43-31-32-45-44-21-11-12-22-46(44)50(47(45)35-43)40-19-9-3-10-20-40/h1-3,5-12,15-32,35H,4,13-14,33-34H2
InChIKeyWXRZQDJMVRDYAW-UHFFFAOYSA-N
XLogP13.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.86
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163606213
4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163511732
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine (CID 163478343) is 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)CCCCC4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is WXRZQDJMVRDYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2/c1-5-15-36(16-6-1)37-23-27-41(28-24-37)49(42-29-25-39(26-30-42)48(33-13-4-14-34-48)38-17-7-2-8-18-38)43-31-32-45-44-21-11-12-22-46(44)50(47(45)35-43)40-19-9-3-10-20-40/h1-3,5-12,15-32,35H,4,13-14,33-34H2.
What are the key properties of 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine?
9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 644.86 g/mol, XLogP of 13.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 163478343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).