N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline

C58H41N — CID 167297415

IUPACN-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C58H41N/c1-4-14-42(15-5-1)52-34-39-55(47-17-6-2-7-18-47)57(41-52)49-27-24-44(25-28-49)45-30-35-53(36-31-45)59(58-23-13-12-22-56(58)48-19-8-3-9-20-48)54-37-32-46(33-38-54)51-29-26-43-16-10-11-21-50(43)40-51/h1-41H
InChIKeyLCFRSIKIGABCRC-UHFFFAOYSA-N
MW751.97 g/mol
LogP16.31
Rot. Bonds9

About N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline

N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline (PubChem CID 167297415) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
PubChem CID167297415
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C58H41N/c1-4-14-42(15-5-1)52-34-39-55(47-17-6-2-7-18-47)57(41-52)49-27-24-44(25-28-49)45-30-35-53(36-31-45)59(58-23-13-12-22-56(58)48-19-8-3-9-20-48)54-37-32-46(33-38-54)51-29-26-43-16-10-11-21-50(43)40-51/h1-41H
InChIKeyLCFRSIKIGABCRC-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

2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 172502420
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155122949
2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 172502216
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-(2-phenylphenyl)aniline
CID 167233900
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 164831527
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501510

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline (CID 167297415) is N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc5-c5ccccc5)cc4)cc3)c2)cc1.
What is the InChIKey of N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The InChIKey is LCFRSIKIGABCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-4-14-42(15-5-1)52-34-39-55(47-17-6-2-7-18-47)57(41-52)49-27-24-44(25-28-49)45-30-35-53(36-31-45)59(58-23-13-12-22-56(58)48-19-8-3-9-20-48)54-37-32-46(33-38-54)51-29-26-43-16-10-11-21-50(43)40-51/h1-41H.
What are the key properties of N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline 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-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 167297415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).