N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine

C43H46N2 — CID 166670884

IUPACN-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine
SMILESCC1C=C(C2CCCCC2)C=CC1N(c1ccc(C2CCCCC2)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H46N2/c1-31-29-35(33-15-7-3-8-16-33)23-27-41(31)44(37-24-21-34(22-25-37)32-13-5-2-6-14-32)38-26-28-43-40(30-38)39-19-11-12-20-42(39)45(43)36-17-9-4-10-18-36/h4,9-12,17-33,41H,2-3,5-8,13-16H2,1H3
InChIKeyOETYSGPGEOIULV-UHFFFAOYSA-N
MW590.86 g/mol
LogP12.05
Rot. Bonds6

About N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine

N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 166670884) has the molecular formula C43H46N2 and a molecular weight of 590.86 g/mol. Its IUPAC name is N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine
PubChem CID166670884
Molecular FormulaC43H46N2
Molecular Weight590.86 g/mol
Exact Mass590.37
IUPAC NameN-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine
SMILESCC1C=C(C2CCCCC2)C=CC1N(c1ccc(C2CCCCC2)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H46N2/c1-31-29-35(33-15-7-3-8-16-33)23-27-41(31)44(37-24-21-34(22-25-37)32-13-5-2-6-14-32)38-26-28-43-40(30-38)39-19-11-12-20-42(39)45(43)36-17-9-4-10-18-36/h4,9-12,17-33,41H,2-3,5-8,13-16H2,1H3
InChIKeyOETYSGPGEOIULV-UHFFFAOYSA-N
XLogP12.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.86
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
9,9-dimethyl-N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 139551277
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 168810700
3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
CID 177275872
6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine
CID 166997919
9-(3-cyclopentylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 168805817
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780015
N-[4-[4-(4-fluoro-N-(2-methyl-9-phenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)anilino)phenyl]-6-methylcyclohexa-2,4-dien-1-yl]-N-(4-fluorophenyl)-9-phenylcarbazol-3-amine
CID 175611734
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(3,9,9-trimethyl-2,3-dihydrofluoren-2-yl)carbazol-3-amine
CID 166698349

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine (CID 166670884) is N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine is CC1C=C(C2CCCCC2)C=CC1N(c1ccc(C2CCCCC2)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is OETYSGPGEOIULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N2/c1-31-29-35(33-15-7-3-8-16-33)23-27-41(31)44(37-24-21-34(22-25-37)32-13-5-2-6-14-32)38-26-28-43-40(30-38)39-19-11-12-20-42(39)45(43)36-17-9-4-10-18-36/h4,9-12,17-33,41H,2-3,5-8,13-16H2,1H3.
What are the key properties of N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine?
N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine has a molecular weight of 590.86 g/mol, XLogP of 12.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(4-cyclohexylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 166670884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).