2,3-diphenylbenzene-1,4-diamine

C18H16N2 — CID 3035222

IUPAC2,3-diphenylbenzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H16N2/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,19-20H2
InChIKeyROPCXUHUYPCFCP-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.18
Rot. Bonds2

About 2,3-diphenylbenzene-1,4-diamine

2,3-diphenylbenzene-1,4-diamine (PubChem CID 3035222) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,3-diphenylbenzene-1,4-diamine
PubChem CID3035222
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2,3-diphenylbenzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H16N2/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,19-20H2
InChIKeyROPCXUHUYPCFCP-UHFFFAOYSA-N
XLogP4.18
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylbenzene-1,4-diamine?
The IUPAC name of 2,3-diphenylbenzene-1,4-diamine (CID 3035222) is 2,3-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 2,3-diphenylbenzene-1,4-diamine?
The canonical SMILES for 2,3-diphenylbenzene-1,4-diamine is Nc1ccc(N)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,3-diphenylbenzene-1,4-diamine?
The InChIKey is ROPCXUHUYPCFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12H,19-20H2.
What are the key properties of 2,3-diphenylbenzene-1,4-diamine?
2,3-diphenylbenzene-1,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 3035222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).