N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

C64H44N2 — CID 167235738

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C64H44N2/c1-3-16-45(17-4-1)51-22-15-23-52(42-51)47-32-37-55(38-33-47)65(64-44-54(36-41-58(64)48-19-5-2-6-20-48)53-31-30-46-18-7-8-21-50(46)43-53)56-39-34-49(35-40-56)57-24-9-12-27-61(57)66-62-28-13-10-25-59(62)60-26-11-14-29-63(60)66/h1-44H
InChIKeyFGGKKMUFAIZWEV-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 167235738) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID167235738
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C64H44N2/c1-3-16-45(17-4-1)51-22-15-23-52(42-51)47-32-37-55(38-33-47)65(64-44-54(36-41-58(64)48-19-5-2-6-20-48)53-31-30-46-18-7-8-21-50(46)43-53)56-39-34-49(35-40-56)57-24-9-12-27-61(57)66-62-28-13-10-25-59(62)60-26-11-14-29-63(60)66/h1-44H
InChIKeyFGGKKMUFAIZWEV-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
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
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
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
CID 167234687
4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline
CID 174309899
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235229
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167234431
N-(2-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167236432
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322387

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 167235738) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is FGGKKMUFAIZWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-16-45(17-4-1)51-22-15-23-52(42-51)47-32-37-55(38-33-47)65(64-44-54(36-41-58(64)48-19-5-2-6-20-48)53-31-30-46-18-7-8-21-50(46)43-53)56-39-34-49(35-40-56)57-24-9-12-27-61(57)66-62-28-13-10-25-59(62)60-26-11-14-29-63(60)66/h1-44H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]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 N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167235738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).