4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine

C35H34N2O — CID 122451360

IUPAC4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCCC(C)c1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C35H34N2O/c1-4-27(2)28-15-17-31(18-16-28)37(34-23-25-35(38-3)26-24-34)33-21-19-32(20-22-33)36(29-11-7-5-8-12-29)30-13-9-6-10-14-30/h5-27H,4H2,1-3H3
InChIKeyZRQXQAOJABBHBQ-UHFFFAOYSA-N
MW498.67 g/mol
LogP10.15
Rot. Bonds9

About 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 122451360) has the molecular formula C35H34N2O and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID122451360
Molecular FormulaC35H34N2O
Molecular Weight498.67 g/mol
Exact Mass498.27
IUPAC Name4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESCCC(C)c1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C35H34N2O/c1-4-27(2)28-15-17-31(18-16-28)37(34-23-25-35(38-3)26-24-34)33-21-19-32(20-22-33)36(29-11-7-5-8-12-29)30-13-9-6-10-14-30/h5-27H,4H2,1-3H3
InChIKeyZRQXQAOJABBHBQ-UHFFFAOYSA-N
XLogP10.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
CID 159095466
N-(4-butan-2-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-3-tritioaniline
CID 59196951
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
4-(N-(4-butan-2-ylphenyl)anilino)benzenesulfonic acid
CID 88869436

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine (CID 122451360) is 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine is CCC(C)c1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is ZRQXQAOJABBHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O/c1-4-27(2)28-15-17-31(18-16-28)37(34-23-25-35(38-3)26-24-34)33-21-19-32(20-22-33)36(29-11-7-5-8-12-29)30-13-9-6-10-14-30/h5-27H,4H2,1-3H3.
What are the key properties of 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 498.67 g/mol, XLogP of 10.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 122451360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).