2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline

C48H35N — CID 155123182

IUPAC2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H35N/c1-6-16-35(17-7-1)36-26-29-43(30-27-36)49-47-31-28-41(32-44(47)37-18-8-2-9-19-37)42-33-45(38-20-10-3-11-21-38)48(40-24-14-5-15-25-40)46(34-42)39-22-12-4-13-23-39/h1-34,49H
InChIKeyTZBUEBSHQULPKW-UHFFFAOYSA-N
MW625.82 g/mol
LogP13.43
Rot. Bonds8

About 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline

2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline (PubChem CID 155123182) has the molecular formula C48H35N and a molecular weight of 625.82 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
PubChem CID155123182
Molecular FormulaC48H35N
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC Name2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H35N/c1-6-16-35(17-7-1)36-26-29-43(30-27-36)49-47-31-28-41(32-44(47)37-18-8-2-9-19-37)42-33-45(38-20-10-3-11-21-38)48(40-24-14-5-15-25-40)46(34-42)39-22-12-4-13-23-39/h1-34,49H
InChIKeyTZBUEBSHQULPKW-UHFFFAOYSA-N
XLogP13.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 513.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118907736
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
CID 67215708
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118675145
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine
CID 141276562
N-(2,4-diphenylphenyl)-4-phenanthren-9-ylnaphthalen-2-amine
CID 169007083
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline?
The IUPAC name of 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline (CID 155123182) is 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline?
The canonical SMILES for 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline is c1ccc(-c2ccc(Nc3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline?
The InChIKey is TZBUEBSHQULPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-6-16-35(17-7-1)36-26-29-43(30-27-36)49-47-31-28-41(32-44(47)37-18-8-2-9-19-37)42-33-45(38-20-10-3-11-21-38)48(40-24-14-5-15-25-40)46(34-42)39-22-12-4-13-23-39/h1-34,49H.
What are the key properties of 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline?
2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline has a molecular weight of 625.82 g/mol, XLogP of 13.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline is sourced from PubChem (CID 155123182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).