N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine

C46H38N2 — CID 164774340

IUPACN-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc5ccccc5cc4Nc4ccc(-c5ccc(C6CCCCC6)cc5)cc4)cc32)cc1
InChIInChI=1S/C46H38N2/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-26-39(27-24-35)47-44-30-37-14-8-7-13-36(37)29-43(44)38-25-28-42-41-17-9-10-18-45(41)48(46(42)31-38)40-15-5-2-6-16-40/h2,5-10,13-32,47H,1,3-4,11-12H2
InChIKeyNIAIMNPHDSGWJV-UHFFFAOYSA-N
MW618.82 g/mol
LogP13.06
Rot. Bonds6

About N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine

N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine (PubChem CID 164774340) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine
PubChem CID164774340
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC NameN-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc5ccccc5cc4Nc4ccc(-c5ccc(C6CCCCC6)cc5)cc4)cc32)cc1
InChIInChI=1S/C46H38N2/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-26-39(27-24-35)47-44-30-37-14-8-7-13-36(37)29-43(44)38-25-28-42-41-17-9-10-18-45(41)48(46(42)31-38)40-15-5-2-6-16-40/h2,5-10,13-32,47H,1,3-4,11-12H2
InChIKeyNIAIMNPHDSGWJV-UHFFFAOYSA-N
XLogP13.06
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 513.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
2-[9-(4-cyclohexylphenyl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 140916221
1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 161099965
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)naphthalen-2-yl]fluoren-2-amine
CID 164774646
N-(4-naphthalen-2-ylnaphthalen-1-yl)-9-phenylcarbazol-2-amine
CID 166997506
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
2,7-dicyclohexyl-9-[4-[4-(2,7-dicyclohexylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 102352283
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine?
The IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine (CID 164774340) is N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine?
The canonical SMILES for N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine is c1ccc(-n2c3ccccc3c3ccc(-c4cc5ccccc5cc4Nc4ccc(-c5ccc(C6CCCCC6)cc5)cc4)cc32)cc1.
What is the InChIKey of N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine?
The InChIKey is NIAIMNPHDSGWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-26-39(27-24-35)47-44-30-37-14-8-7-13-36(37)29-43(44)38-25-28-42-41-17-9-10-18-45(41)48(46(42)31-38)40-15-5-2-6-16-40/h2,5-10,13-32,47H,1,3-4,11-12H2.
What are the key properties of N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine?
N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine has a molecular weight of 618.82 g/mol, XLogP of 13.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylphenyl)phenyl]-3-(9-phenylcarbazol-2-yl)naphthalen-2-amine is sourced from PubChem (CID 164774340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).