N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline

C54H38N2 — CID 168789242

IUPACN,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2)c2cccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-20-39(21-6-1)45-30-13-14-31-48(45)53-46(40-22-7-2-8-23-40)33-18-36-51(53)55(42-25-9-3-10-26-42)44-29-17-24-41(38-44)47-34-19-37-52-54(47)49-32-15-16-35-50(49)56(52)43-27-11-4-12-28-43/h1-38H
InChIKeyAWQOZCCZYJBZJJ-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

About N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline

N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline (PubChem CID 168789242) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline
PubChem CID168789242
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2)c2cccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H38N2/c1-5-20-39(21-6-1)45-30-13-14-31-48(45)53-46(40-22-7-2-8-23-40)33-18-36-51(53)55(42-25-9-3-10-26-42)44-29-17-24-41(38-44)47-34-19-37-52-54(47)49-32-15-16-35-50(49)56(52)43-27-11-4-12-28-43/h1-38H
InChIKeyAWQOZCCZYJBZJJ-UHFFFAOYSA-N
XLogP14.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790997
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-4-yl)phenyl]benzene-1,3-diamine
CID 177275916
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
9-phenyl-N-[3-[4-[3-[N-(9-phenylcarbazol-4-yl)-4-[3-[2-phenyl-5-[4-(9-phenylcarbazol-4-yl)-N-[3-[4-[3-(4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)carbazol-4-amine
CID 163910483
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079
N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501542
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline?
The IUPAC name of N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline (CID 168789242) is N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline?
The canonical SMILES for N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccccc2)c2cccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline?
The InChIKey is AWQOZCCZYJBZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-20-39(21-6-1)45-30-13-14-31-48(45)53-46(40-22-7-2-8-23-40)33-18-36-51(53)55(42-25-9-3-10-26-42)44-29-17-24-41(38-44)47-34-19-37-52-54(47)49-32-15-16-35-50(49)56(52)43-27-11-4-12-28-43/h1-38H.
What are the key properties of N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline?
N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline has a molecular weight of 714.91 g/mol, XLogP of 14.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168789242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).