N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

C58H40N2 — CID 168788472

IUPACN-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C58H40N2/c1-3-20-41(21-4-1)47-29-9-10-32-52(47)58-49(43-22-5-2-6-23-43)34-19-39-57(58)59(45-27-17-26-44(40-45)48-33-18-25-42-24-7-8-28-46(42)48)55-37-15-16-38-56(55)60-53-35-13-11-30-50(53)51-31-12-14-36-54(51)60/h1-40H
InChIKeyVIAMBUXWZWKUGB-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168788472) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168788472
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C58H40N2/c1-3-20-41(21-4-1)47-29-9-10-32-52(47)58-49(43-22-5-2-6-23-43)34-19-39-57(58)59(45-27-17-26-44(40-45)48-33-18-25-42-24-7-8-28-46(42)48)55-37-15-16-38-56(55)60-53-35-13-11-30-50(53)51-31-12-14-36-54(51)60/h1-40H
InChIKeyVIAMBUXWZWKUGB-UHFFFAOYSA-N
XLogP16.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788352
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790997
N-(3-naphthalen-1-ylphenyl)-3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168789220
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790262
4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 174310339
N-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234338
3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790192
N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172501638
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170664617
N-(3-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789652

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168788472) is N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is VIAMBUXWZWKUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-20-41(21-4-1)47-29-9-10-32-52(47)58-49(43-22-5-2-6-23-43)34-19-39-57(58)59(45-27-17-26-44(40-45)48-33-18-25-42-24-7-8-28-46(42)48)55-37-15-16-38-56(55)60-53-35-13-11-30-50(53)51-31-12-14-36-54(51)60/h1-40H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline has a molecular weight of 764.97 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168788472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).