N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine

C50H46N2 — CID 170297990

IUPACN-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C50H46N2/c1-50(2,3)37-31-33-39(34-32-37)52(47-30-16-29-46-49(47)43-24-11-13-28-45(43)51(46)38-21-8-5-9-22-38)44-27-12-10-23-41(44)42-26-15-20-36-19-14-25-40(48(36)42)35-17-6-4-7-18-35/h5,8-16,19-35H,4,6-7,17-18H2,1-3H3
InChIKeyBAEUZZIZVHIEAM-UHFFFAOYSA-N
MW674.93 g/mol
LogP14.42
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine

N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine (PubChem CID 170297990) has the molecular formula C50H46N2 and a molecular weight of 674.93 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine
PubChem CID170297990
Molecular FormulaC50H46N2
Molecular Weight674.93 g/mol
Exact Mass674.37
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C50H46N2/c1-50(2,3)37-31-33-39(34-32-37)52(47-30-16-29-46-49(47)43-24-11-13-28-45(43)51(46)38-21-8-5-9-22-38)44-27-12-10-23-41(44)42-26-15-20-36-19-14-25-40(48(36)42)35-17-6-4-7-18-35/h5,8-16,19-35H,4,6-7,17-18H2,1-3H3
InChIKeyBAEUZZIZVHIEAM-UHFFFAOYSA-N
XLogP14.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.93
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
CID 170297763
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170303290
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine
CID 170297952
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine
CID 170297985
3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297982
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170297632
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297637
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297549
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
CID 170299296
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
CID 170299224

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine (CID 170297990) is N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine is CC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine?
The InChIKey is BAEUZZIZVHIEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N2/c1-50(2,3)37-31-33-39(34-32-37)52(47-30-16-29-46-49(47)43-24-11-13-28-45(43)51(46)38-21-8-5-9-22-38)44-27-12-10-23-41(44)42-26-15-20-36-19-14-25-40(48(36)42)35-17-6-4-7-18-35/h5,8-16,19-35H,4,6-7,17-18H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine?
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine has a molecular weight of 674.93 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine is sourced from PubChem (CID 170297990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).