N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline

C58H40N2 — CID 167234687

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C58H40N2/c1-3-17-41(18-4-1)45-23-15-24-48(39-45)59(58-40-46(35-38-52(58)43-19-5-2-6-20-43)50-29-16-22-42-21-7-8-25-49(42)50)47-36-33-44(34-37-47)51-26-9-12-30-55(51)60-56-31-13-10-27-53(56)54-28-11-14-32-57(54)60/h1-40H
InChIKeyYGIJQEHVEIOZJX-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 167234687) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
PubChem CID167234687
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C58H40N2/c1-3-17-41(18-4-1)45-23-15-24-48(39-45)59(58-40-46(35-38-52(58)43-19-5-2-6-20-43)50-29-16-22-42-21-7-8-25-49(42)50)47-36-33-44(34-37-47)51-26-9-12-30-55(51)60-56-31-13-10-27-53(56)54-28-11-14-32-57(54)60/h1-40H
InChIKeyYGIJQEHVEIOZJX-UHFFFAOYSA-N
XLogP16.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-2-phenylaniline
CID 167234152
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234123
4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline
CID 174310000
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235738
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234223

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline (CID 167234687) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)c3cc(-c4cccc5ccccc45)ccc3-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is YGIJQEHVEIOZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-17-41(18-4-1)45-23-15-24-48(39-45)59(58-40-46(35-38-52(58)43-19-5-2-6-20-43)50-29-16-22-42-21-7-8-25-49(42)50)47-36-33-44(34-37-47)51-26-9-12-30-55(51)60-56-31-13-10-27-53(56)54-28-11-14-32-57(54)60/h1-40H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)aniline has a molecular weight of 764.97 g/mol, XLogP of 16.07, 8 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-1-yl-2-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 167234687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).