N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline

C48H34BrN — CID 118049360

IUPACN-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline
SMILESBrc1ccccc1-c1ccccc1-c1ccc(-c2ccccc2)cc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H34BrN/c49-48-23-13-12-22-46(48)44-21-11-10-20-43(44)45-33-28-39(36-16-6-2-7-17-36)34-47(45)38-26-31-42(32-27-38)50(40-18-8-3-9-19-40)41-29-24-37(25-30-41)35-14-4-1-5-15-35/h1-34H
InChIKeyJDKPHWIWIXBQCZ-UHFFFAOYSA-N
MW704.71 g/mol
LogP14.25
Rot. Bonds8

About N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline

N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline (PubChem CID 118049360) has the molecular formula C48H34BrN and a molecular weight of 704.71 g/mol. Its IUPAC name is N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline
PubChem CID118049360
Molecular FormulaC48H34BrN
Molecular Weight704.71 g/mol
Exact Mass703.19
IUPAC NameN-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline
SMILESBrc1ccccc1-c1ccccc1-c1ccc(-c2ccccc2)cc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H34BrN/c49-48-23-13-12-22-46(48)44-21-11-10-20-43(44)45-33-28-39(36-16-6-2-7-17-36)34-47(45)38-26-31-42(32-27-38)50(40-18-8-3-9-19-40)41-29-24-37(25-30-41)35-14-4-1-5-15-35/h1-34H
InChIKeyJDKPHWIWIXBQCZ-UHFFFAOYSA-N
XLogP14.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.71
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
3,5-bis(2,5-diphenylphenyl)-N,N-diphenylaniline
CID 156578624
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N-[4-(4-phenanthren-9-yl-3-phenylphenyl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167003698
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline (CID 118049360) is N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline is Brc1ccccc1-c1ccccc1-c1ccc(-c2ccccc2)cc1-c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline?
The InChIKey is JDKPHWIWIXBQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34BrN/c49-48-23-13-12-22-46(48)44-21-11-10-20-43(44)45-33-28-39(36-16-6-2-7-17-36)34-47(45)38-26-31-42(32-27-38)50(40-18-8-3-9-19-40)41-29-24-37(25-30-41)35-14-4-1-5-15-35/h1-34H.
What are the key properties of N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline?
N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline has a molecular weight of 704.71 g/mol, XLogP of 14.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-bromophenyl)phenyl]-5-phenylphenyl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 118049360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).