N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine

C50H34N2 — CID 168809021

IUPACN-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2c(-n3c4ccccc4c4ccccc43)ccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H34N2/c1-2-17-35(18-3-1)38-23-8-12-28-44(38)51(45-32-16-21-36-19-4-6-22-39(36)45)48-31-15-11-27-43(48)50-40-24-7-5-20-37(40)33-34-49(50)52-46-29-13-9-25-41(46)42-26-10-14-30-47(42)52/h1-34H
InChIKeyBKDRUGDIWXEXPK-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine

N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine (PubChem CID 168809021) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
PubChem CID168809021
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2c(-n3c4ccccc4c4ccccc43)ccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C50H34N2/c1-2-17-35(18-3-1)38-23-8-12-28-44(38)51(45-32-16-21-36-19-4-6-22-39(36)45)48-31-15-11-27-43(48)50-40-24-7-5-20-37(40)33-34-49(50)52-46-29-13-9-25-41(46)42-26-10-14-30-47(42)52/h1-34H
InChIKeyBKDRUGDIWXEXPK-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 167227712
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
CID 168809354
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 168809293
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170271578
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 168809325
6-carbazol-9-yl-N,N-bis[2-(2-phenylphenyl)phenyl]pyren-1-amine
CID 167415381
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
6-carbazol-9-yl-N-(2,6-diphenylphenyl)-N-[2-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415367
N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167184133
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 174310339

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine (CID 168809021) is N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccccc2N(c2ccccc2-c2c(-n3c4ccccc4c4ccccc43)ccc3ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The InChIKey is BKDRUGDIWXEXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-2-17-35(18-3-1)38-23-8-12-28-44(38)51(45-32-16-21-36-19-4-6-22-39(36)45)48-31-15-11-27-43(48)50-40-24-7-5-20-37(40)33-34-49(50)52-46-29-13-9-25-41(46)42-26-10-14-30-47(42)52/h1-34H.
What are the key properties of N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 168809021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).