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

C64H44N2 — CID 166565729

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-2-17-48(18-3-1)57-24-6-7-25-58(57)59-26-8-11-29-62(59)65(54-38-34-46(35-39-54)50-20-14-21-51(42-50)53-33-32-45-16-4-5-19-49(45)43-53)55-40-36-47(37-41-55)52-22-15-23-56(44-52)66-63-30-12-9-27-60(63)61-28-10-13-31-64(61)66/h1-44H
InChIKeyUFJTUEJSYOCUHF-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

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

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline (PubChem CID 166565729) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
PubChem CID166565729
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-2-17-48(18-3-1)57-24-6-7-25-58(57)59-26-8-11-29-62(59)65(54-38-34-46(35-39-54)50-20-14-21-51(42-50)53-33-32-45-16-4-5-19-49(45)43-53)55-40-36-47(37-41-55)52-22-15-23-56(44-52)66-63-30-12-9-27-60(63)61-28-10-13-31-64(61)66/h1-44H
InChIKeyUFJTUEJSYOCUHF-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-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501114
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
CID 167234428
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168789420
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788793
N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 118087714
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168790792
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566213
N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502466
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578387

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline (CID 166565729) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc2)c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline?
The InChIKey is UFJTUEJSYOCUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-2-17-48(18-3-1)57-24-6-7-25-58(57)59-26-8-11-29-62(59)65(54-38-34-46(35-39-54)50-20-14-21-51(42-50)53-33-32-45-16-4-5-19-49(45)43-53)55-40-36-47(37-41-55)52-22-15-23-56(44-52)66-63-30-12-9-27-60(63)61-28-10-13-31-64(61)66/h1-44H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(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 N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 166565729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).