4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline

C64H44N2 — CID 174309899

IUPAC4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2cc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccccc3-c3ccccc3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C64H44N2/c1-3-18-49(19-4-1)55-23-9-13-27-61(55)65(53-39-37-47(38-40-53)46-31-33-48(34-32-46)52-36-35-45-17-7-8-22-51(45)43-52)54-41-42-56(60(44-54)50-20-5-2-6-21-50)57-24-10-14-28-62(57)66-63-29-15-11-25-58(63)59-26-12-16-30-64(59)66/h1-44H
InChIKeyQGGMRNDBEGCUKA-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline

4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline (PubChem CID 174309899) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline
PubChem CID174309899
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC Name4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2cc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccccc3-c3ccccc3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C64H44N2/c1-3-18-49(19-4-1)55-23-9-13-27-61(55)65(53-39-37-47(38-40-53)46-31-33-48(34-32-46)52-36-35-45-17-7-8-22-51(45)43-52)54-41-42-56(60(44-54)50-20-5-2-6-21-50)57-24-10-14-28-62(57)66-63-29-15-11-25-58(63)59-26-12-16-30-64(59)66/h1-44H
InChIKeyQGGMRNDBEGCUKA-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235738
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 174309808
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 174309818
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 167528489
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
CID 142416176
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 167322146
4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline
CID 174310000
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline (CID 174309899) is 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline is c1ccc(-c2cc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccccc3-c3ccccc3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline?
The InChIKey is QGGMRNDBEGCUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-18-49(19-4-1)55-23-9-13-27-61(55)65(53-39-37-47(38-40-53)46-31-33-48(34-32-46)52-36-35-45-17-7-8-22-51(45)43-52)54-41-42-56(60(44-54)50-20-5-2-6-21-50)57-24-10-14-28-62(57)66-63-29-15-11-25-58(63)59-26-12-16-30-64(59)66/h1-44H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline?
4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline has a molecular weight of 841.07 g/mol, XLogP of 17.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 174309899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).