1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine

C32H28N2 — CID 14250518

IUPAC1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C32H28N2/c1-25-11-9-17-31(23-25)33(27-13-5-3-6-14-27)29-19-21-30(22-20-29)34(28-15-7-4-8-16-28)32-18-10-12-26(2)24-32/h3-24H,1-2H3
InChIKeyZWZXDJMNYGRYNP-UHFFFAOYSA-N
MW440.59 g/mol
LogP9.24
Rot. Bonds6

About 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine

1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 14250518) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID14250518
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C32H28N2/c1-25-11-9-17-31(23-25)33(27-13-5-3-6-14-27)29-19-21-30(22-20-29)34(28-15-7-4-8-16-28)32-18-10-12-26(2)24-32/h3-24H,1-2H3
InChIKeyZWZXDJMNYGRYNP-UHFFFAOYSA-N
XLogP9.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine (CID 14250518) is 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine is Cc1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c1.
What is the InChIKey of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is ZWZXDJMNYGRYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-25-11-9-17-31(23-25)33(27-13-5-3-6-14-27)29-19-21-30(22-20-29)34(28-15-7-4-8-16-28)32-18-10-12-26(2)24-32/h3-24H,1-2H3.
What are the key properties of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine?
1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 440.59 g/mol, XLogP of 9.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 14250518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).