N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine

C52H42N2 — CID 170297763

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C52H42N2/c1-4-19-37(20-5-1)41-27-10-13-32-46(41)54(50-36-18-35-49-52(50)45-29-12-15-34-48(45)53(49)40-25-8-3-9-26-40)47-33-14-11-28-43(47)44-31-17-24-39-23-16-30-42(51(39)44)38-21-6-2-7-22-38/h1,3-5,8-20,23-36,38H,2,6-7,21-22H2
InChIKeyRWIISSDIEPTGIP-UHFFFAOYSA-N
MW694.92 g/mol
LogP14.79
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine (PubChem CID 170297763) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
PubChem CID170297763
Molecular FormulaC52H42N2
Molecular Weight694.92 g/mol
Exact Mass694.33
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C52H42N2/c1-4-19-37(20-5-1)41-27-10-13-32-46(41)54(50-36-18-35-49-52(50)45-29-12-15-34-48(45)53(49)40-25-8-3-9-26-40)47-33-14-11-28-43(47)44-31-17-24-39-23-16-30-42(51(39)44)38-21-6-2-7-22-38/h1,3-5,8-20,23-36,38H,2,6-7,21-22H2
InChIKeyRWIISSDIEPTGIP-UHFFFAOYSA-N
XLogP14.79
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-4-amine
CID 170299296
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170297990
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
CID 170299224
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]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297926
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]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304378
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304397
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299237
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299663

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine (CID 170297763) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine is c1ccc(-c2ccccc2N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine?
The InChIKey is RWIISSDIEPTGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2/c1-4-19-37(20-5-1)41-27-10-13-32-46(41)54(50-36-18-35-49-52(50)45-29-12-15-34-48(45)53(49)40-25-8-3-9-26-40)47-33-14-11-28-43(47)44-31-17-24-39-23-16-30-42(51(39)44)38-21-6-2-7-22-38/h1,3-5,8-20,23-36,38H,2,6-7,21-22H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine has a molecular weight of 694.92 g/mol, XLogP of 14.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine is sourced from PubChem (CID 170297763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).