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

C56H44N2 — CID 170303254

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4N(c4ccc5ccccc5c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)cc1
InChIInChI=1S/C56H44N2/c1-3-19-40(20-4-1)45-29-15-22-41-23-16-30-49(55(41)45)46-26-9-12-33-52(46)57(44-37-36-39-18-7-8-21-42(39)38-44)53-34-13-10-27-47(53)50-31-17-32-51-48-28-11-14-35-54(48)58(56(50)51)43-24-5-2-6-25-43/h2,5-18,21-38,40H,1,3-4,19-20H2
InChIKeyVJBQGLFZXFQSLQ-UHFFFAOYSA-N
MW744.98 g/mol
LogP15.94
Rot. Bonds7

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine (PubChem CID 170303254) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
PubChem CID170303254
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4N(c4ccc5ccccc5c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)cc1
InChIInChI=1S/C56H44N2/c1-3-19-40(20-4-1)45-29-15-22-41-23-16-30-49(55(41)45)46-26-9-12-33-52(46)57(44-37-36-39-18-7-8-21-42(39)38-44)53-34-13-10-27-47(53)50-31-17-32-51-48-28-11-14-35-54(48)58(56(50)51)43-24-5-2-6-25-43/h2,5-18,21-38,40H,1,3-4,19-20H2
InChIKeyVJBQGLFZXFQSLQ-UHFFFAOYSA-N
XLogP15.94
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 170303260
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]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine
CID 170297985
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]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
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-(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
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
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170299509

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine (CID 170303254) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine is c1ccc(-n2c3ccccc3c3cccc(-c4ccccc4N(c4ccc5ccccc5c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)c32)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine?
The InChIKey is VJBQGLFZXFQSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-3-19-40(20-4-1)45-29-15-22-41-23-16-30-49(55(41)45)46-26-9-12-33-52(46)57(44-37-36-39-18-7-8-21-42(39)38-44)53-34-13-10-27-47(53)50-31-17-32-51-48-28-11-14-35-54(48)58(56(50)51)43-24-5-2-6-25-43/h2,5-18,21-38,40H,1,3-4,19-20H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine has a molecular weight of 744.98 g/mol, XLogP of 15.94, 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]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170303254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).