4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

C50H40N2 — CID 118675145

IUPAC4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCc1ccc(Nc2ccc(-c3ccccc3)cc2)c(-c2cccc(-c3cccc(-c4cc(C)ccc4Nc4ccc(-c5ccccc5)cc4)c3)c2)c1
InChIInChI=1S/C50H40N2/c1-35-19-29-49(51-45-25-21-39(22-26-45)37-11-5-3-6-12-37)47(31-35)43-17-9-15-41(33-43)42-16-10-18-44(34-42)48-32-36(2)20-30-50(48)52-46-27-23-40(24-28-46)38-13-7-4-8-14-38/h3-34,51-52H,1-2H3
InChIKeyLICDYOSRRDXNNO-UHFFFAOYSA-N
MW668.88 g/mol
LogP14.13
Rot. Bonds9

About 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 118675145) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID118675145
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC Name4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCc1ccc(Nc2ccc(-c3ccccc3)cc2)c(-c2cccc(-c3cccc(-c4cc(C)ccc4Nc4ccc(-c5ccccc5)cc4)c3)c2)c1
InChIInChI=1S/C50H40N2/c1-35-19-29-49(51-45-25-21-39(22-26-45)37-11-5-3-6-12-37)47(31-35)43-17-9-15-41(33-43)42-16-10-18-44(34-42)48-32-36(2)20-30-50(48)52-46-27-23-40(24-28-46)38-13-7-4-8-14-38/h3-34,51-52H,1-2H3
InChIKeyLICDYOSRRDXNNO-UHFFFAOYSA-N
XLogP14.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 514.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
CID 67215708
2-[3-[3-[2-[3-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-N-phenylaniline
CID 129054632
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
CID 121261977
4-[4-(3,5-diphenylanilino)-3-phenylphenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118907736
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine
CID 146472249
2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
CID 155123182
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
4-methyl-2-(2-methylphenyl)-N-phenylaniline
CID 70565029
4-methyl-1-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]benzene
CID 58892414

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 118675145) is 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is Cc1ccc(Nc2ccc(-c3ccccc3)cc2)c(-c2cccc(-c3cccc(-c4cc(C)ccc4Nc4ccc(-c5ccccc5)cc4)c3)c2)c1.
What is the InChIKey of 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is LICDYOSRRDXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-35-19-29-49(51-45-25-21-39(22-26-45)37-11-5-3-6-12-37)47(31-35)43-17-9-15-41(33-43)42-16-10-18-44(34-42)48-32-36(2)20-30-50(48)52-46-27-23-40(24-28-46)38-13-7-4-8-14-38/h3-34,51-52H,1-2H3.
What are the key properties of 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 668.88 g/mol, XLogP of 14.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118675145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).