N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline

C48H40N2 — CID 163606213

IUPACN-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(C3(c4ccccc4)CCCCC3)cc2)cc1
InChIInChI=1S/C48H40N2/c1-5-15-38(16-6-1)48(33-13-4-14-34-48)39-26-30-43(31-27-39)49(40-17-7-2-8-18-40)42-28-23-36(24-29-42)37-25-32-45-44-21-11-12-22-46(44)50(47(45)35-37)41-19-9-3-10-20-41/h1-3,5-12,15-32,35H,4,13-14,33-34H2
InChIKeyUBKRADKSEPKZPT-UHFFFAOYSA-N
MW644.86 g/mol
LogP13.17
Rot. Bonds7

About N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline

N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline (PubChem CID 163606213) has the molecular formula C48H40N2 and a molecular weight of 644.86 g/mol. Its IUPAC name is N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
PubChem CID163606213
Molecular FormulaC48H40N2
Molecular Weight644.86 g/mol
Exact Mass644.32
IUPAC NameN-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(C3(c4ccccc4)CCCCC3)cc2)cc1
InChIInChI=1S/C48H40N2/c1-5-15-38(16-6-1)48(33-13-4-14-34-48)39-26-30-43(31-27-39)49(40-17-7-2-8-18-40)42-28-23-36(24-29-42)37-25-32-45-44-21-11-12-22-46(44)50(47(45)35-37)41-19-9-3-10-20-41/h1-3,5-12,15-32,35H,4,13-14,33-34H2
InChIKeyUBKRADKSEPKZPT-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

4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163511732
9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 163478343
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N,9-diphenyl-N-[3-(1-phenylcyclohexyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine
CID 163541612
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
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
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
The IUPAC name of N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline (CID 163606213) is N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(C3(c4ccccc4)CCCCC3)cc2)cc1.
What is the InChIKey of N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
The InChIKey is UBKRADKSEPKZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2/c1-5-15-38(16-6-1)48(33-13-4-14-34-48)39-26-30-43(31-27-39)49(40-17-7-2-8-18-40)42-28-23-36(24-29-42)37-25-32-45-44-21-11-12-22-46(44)50(47(45)35-37)41-19-9-3-10-20-41/h1-3,5-12,15-32,35H,4,13-14,33-34H2.
What are the key properties of N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline 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 N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline is sourced from PubChem (CID 163606213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).