3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane

C42H44N2 — CID 54172091

IUPAC3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
SMILESCC.CC.Cc1cc(C)cc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C38H32N2.2C2H6/c1-29-26-30(2)28-38(27-29)40(35-16-10-5-11-17-35)37-24-20-32(21-25-37)31-18-22-36(23-19-31)39(33-12-6-3-7-13-33)34-14-8-4-9-15-34;2*1-2/h3-28H,1-2H3;2*1-2H3
InChIKeyOVSMLCWHGJYTQI-UHFFFAOYSA-N
MW576.83 g/mol
LogP12.96
Rot. Bonds7

About 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane

3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane (PubChem CID 54172091) has the molecular formula C42H44N2 and a molecular weight of 576.83 g/mol. Its IUPAC name is 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane.

Molecular Properties

Compound Name3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
PubChem CID54172091
Molecular FormulaC42H44N2
Molecular Weight576.83 g/mol
Exact Mass576.35
IUPAC Name3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
SMILESCC.CC.Cc1cc(C)cc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C38H32N2.2C2H6/c1-29-26-30(2)28-38(27-29)40(35-16-10-5-11-17-35)37-24-20-32(21-25-37)31-18-22-36(23-19-31)39(33-12-6-3-7-13-33)34-14-8-4-9-15-34;2*1-2/h3-28H,1-2H3;2*1-2H3
InChIKeyOVSMLCWHGJYTQI-UHFFFAOYSA-N
XLogP12.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.83
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
3,5-dimethyl-N,N-diphenylaniline
CID 10516410
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 91323757
N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
CID 90921715
3,5-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89067583
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-(4-methylphenyl)phenyl]benzene-1,3,5-triamine
CID 161439793

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane?
The IUPAC name of 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane (CID 54172091) is 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane.
What is the SMILES notation for 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane?
The canonical SMILES for 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane is CC.CC.Cc1cc(C)cc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane?
The InChIKey is OVSMLCWHGJYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2.2C2H6/c1-29-26-30(2)28-38(27-29)40(35-16-10-5-11-17-35)37-24-20-32(21-25-37)31-18-22-36(23-19-31)39(33-12-6-3-7-13-33)34-14-8-4-9-15-34;2*1-2/h3-28H,1-2H3;2*1-2H3.
What are the key properties of 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane?
3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane has a molecular weight of 576.83 g/mol, XLogP of 12.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane is sourced from PubChem (CID 54172091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).