1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine

C32H28N2 — CID 146472249

IUPAC1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(Nc3ccc(C)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C32H28N2/c1-23-13-17-27(18-14-23)33-29-21-22-30(34-28-19-15-24(2)16-20-28)32(26-11-7-4-8-12-26)31(29)25-9-5-3-6-10-25/h3-22,33-34H,1-2H3
InChIKeyYIMLOGQDWYYQPU-UHFFFAOYSA-N
MW440.59 g/mol
LogP9.12
Rot. Bonds6

About 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine

1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine (PubChem CID 146472249) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine
PubChem CID146472249
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(Nc3ccc(C)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C32H28N2/c1-23-13-17-27(18-14-23)33-29-21-22-30(34-28-19-15-24(2)16-20-28)32(26-11-7-4-8-12-26)31(29)25-9-5-3-6-10-25/h3-22,33-34H,1-2H3
InChIKeyYIMLOGQDWYYQPU-UHFFFAOYSA-N
XLogP9.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine (CID 146472249) is 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine is Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine?
The InChIKey is YIMLOGQDWYYQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-23-13-17-27(18-14-23)33-29-21-22-30(34-28-19-15-24(2)16-20-28)32(26-11-7-4-8-12-26)31(29)25-9-5-3-6-10-25/h3-22,33-34H,1-2H3.
What are the key properties of 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine?
1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine has a molecular weight of 440.59 g/mol, XLogP of 9.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 146472249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).