N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine

C50H40N2 — CID 170303260

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(N(c4ccc5ccccc5c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)cc1
InChIInChI=1S/C50H40N2/c1-3-17-36(18-4-1)41-26-13-20-37-21-14-27-44(49(37)41)42-24-9-11-29-46(42)51(40-33-32-35-16-7-8-19-38(35)34-40)48-31-15-28-45-43-25-10-12-30-47(43)52(50(45)48)39-22-5-2-6-23-39/h2,5-16,19-34,36H,1,3-4,17-18H2
InChIKeyNOTOMVCRYBOZGB-UHFFFAOYSA-N
MW668.88 g/mol
LogP14.27
Rot. Bonds6

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine (PubChem CID 170303260) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
PubChem CID170303260
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(N(c4ccc5ccccc5c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)cc1
InChIInChI=1S/C50H40N2/c1-3-17-36(18-4-1)41-26-13-20-37-21-14-27-44(49(37)41)42-24-9-11-29-46(42)51(40-33-32-35-16-7-8-19-38(35)34-40)48-31-15-28-45-43-25-10-12-30-47(43)52(50(45)48)39-22-5-2-6-23-39/h2,5-16,19-34,36H,1,3-4,17-18H2
InChIKeyNOTOMVCRYBOZGB-UHFFFAOYSA-N
XLogP14.27
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
CID 170303254
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine
CID 170297985
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170303281
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170297760
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]-2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299372
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine
CID 170299555
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170299185
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170299234
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-dibenzofuran-4-yl-9-phenylcarbazol-2-amine
CID 170299554

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine (CID 170303260) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine is c1ccc(-n2c3ccccc3c3cccc(N(c4ccc5ccccc5c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine?
The InChIKey is NOTOMVCRYBOZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-3-17-36(18-4-1)41-26-13-20-37-21-14-27-44(49(37)41)42-24-9-11-29-46(42)51(40-33-32-35-16-7-8-19-38(35)34-40)48-31-15-28-45-43-25-10-12-30-47(43)52(50(45)48)39-22-5-2-6-23-39/h2,5-16,19-34,36H,1,3-4,17-18H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine has a molecular weight of 668.88 g/mol, XLogP of 14.27, 6 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]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine is sourced from PubChem (CID 170303260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).