N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline

C54H38N2 — CID 172502247

IUPACN-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2)c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H38N2/c1-4-20-39(21-5-1)44-28-10-11-29-46(44)47-30-12-13-31-48(47)49-32-14-16-36-52(49)55(41-23-6-2-7-24-41)43-27-18-22-40(38-43)45-34-19-35-51-50-33-15-17-37-53(50)56(54(45)51)42-25-8-3-9-26-42/h1-38H
InChIKeyGCWQSQQQHLQBJQ-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

About N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline

N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172502247) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID172502247
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2)c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C54H38N2/c1-4-20-39(21-5-1)44-28-10-11-29-46(44)47-30-12-13-31-48(47)49-32-14-16-36-52(49)55(41-23-6-2-7-24-41)43-27-18-22-40(38-43)45-34-19-35-51-50-33-15-17-37-53(50)56(54(45)51)42-25-8-3-9-26-42/h1-38H
InChIKeyGCWQSQQQHLQBJQ-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

N-(4-carbazol-9-ylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790763
N-(4-phenanthren-9-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502544
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788792
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172502247) is N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2)c2cccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is GCWQSQQQHLQBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-4-20-39(21-5-1)44-28-10-11-29-46(44)47-30-12-13-31-48(47)49-32-14-16-36-52(49)55(41-23-6-2-7-24-41)43-27-18-22-40(38-43)45-34-19-35-51-50-33-15-17-37-53(50)56(54(45)51)42-25-8-3-9-26-42/h1-38H.
What are the key properties of N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
N-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]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-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172502247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).