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

C49H42N2 — CID 163511732

IUPAC4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(C3(c4ccccc4)CCCCC3)cc2)cc1
InChIInChI=1S/C49H42N2/c1-36-19-26-42(27-20-36)50(44-30-24-40(25-31-44)49(33-11-4-12-34-49)39-13-5-2-6-14-39)43-28-21-37(22-29-43)38-23-32-46-45-17-9-10-18-47(45)51(48(46)35-38)41-15-7-3-8-16-41/h2-3,5-10,13-32,35H,4,11-12,33-34H2,1H3
InChIKeyNCGRURWUDGJXQC-UHFFFAOYSA-N
MW658.89 g/mol
LogP13.48
Rot. Bonds7

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

4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline (PubChem CID 163511732) has the molecular formula C49H42N2 and a molecular weight of 658.89 g/mol. Its IUPAC name is 4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline
PubChem CID163511732
Molecular FormulaC49H42N2
Molecular Weight658.89 g/mol
Exact Mass658.33
IUPAC Name4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(C3(c4ccccc4)CCCCC3)cc2)cc1
InChIInChI=1S/C49H42N2/c1-36-19-26-42(27-20-36)50(44-30-24-40(25-31-44)49(33-11-4-12-34-49)39-13-5-2-6-14-39)43-28-21-37(22-29-43)38-23-32-46-45-17-9-10-18-47(45)51(48(46)35-38)41-15-7-3-8-16-41/h2-3,5-10,13-32,35H,4,11-12,33-34H2,1H3
InChIKeyNCGRURWUDGJXQC-UHFFFAOYSA-N
XLogP13.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.89
LogP ≤ 513.48
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
9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 163478343
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
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
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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
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
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 160910551

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
The IUPAC name of 4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline (CID 163511732) is 4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline.
What is the SMILES notation for 4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
The canonical SMILES for 4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline is Cc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(C3(c4ccccc4)CCCCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
The InChIKey is NCGRURWUDGJXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42N2/c1-36-19-26-42(27-20-36)50(44-30-24-40(25-31-44)49(33-11-4-12-34-49)39-13-5-2-6-14-39)43-28-21-37(22-29-43)38-23-32-46-45-17-9-10-18-47(45)51(48(46)35-38)41-15-7-3-8-16-41/h2-3,5-10,13-32,35H,4,11-12,33-34H2,1H3.
What are the key properties of 4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline?
4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline has a molecular weight of 658.89 g/mol, XLogP of 13.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline is sourced from PubChem (CID 163511732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).