N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

C58H41N — CID 170304738

IUPACN-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C58H41N/c1-4-20-42(21-5-1)43-38-40-47(41-39-43)59(57-37-17-15-33-54(57)55-35-19-27-46-26-18-34-49(58(46)55)45-24-8-3-9-25-45)56-36-16-14-32-53(56)52-31-13-12-30-51(52)50-29-11-10-28-48(50)44-22-6-2-7-23-44/h1-41H
InChIKeyUMJOGNQJWSRXLQ-UHFFFAOYSA-N
MW751.97 g/mol
LogP16.31
Rot. Bonds9

About N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 170304738) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID170304738
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C58H41N/c1-4-20-42(21-5-1)43-38-40-47(41-39-43)59(57-37-17-15-33-54(57)55-35-19-27-46-26-18-34-49(58(46)55)45-24-8-3-9-25-45)56-36-16-14-32-53(56)52-31-13-12-30-51(52)50-29-11-10-28-48(50)44-22-6-2-7-23-44/h1-41H
InChIKeyUMJOGNQJWSRXLQ-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304806
N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine
CID 166041824
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501728
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
CID 170288404
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (CID 170304738) is N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is UMJOGNQJWSRXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-4-20-42(21-5-1)43-38-40-47(41-39-43)59(57-37-17-15-33-54(57)55-35-19-27-46-26-18-34-49(58(46)55)45-24-8-3-9-25-45)56-36-16-14-32-53(56)52-31-13-12-30-51(52)50-29-11-10-28-48(50)44-22-6-2-7-23-44/h1-41H.
What are the key properties of N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline has a molecular weight of 751.97 g/mol, XLogP of 16.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170304738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).