1-N,4-N-diphenylbenzene-1,4-diamine

C18H16N2 — CID 6319

IUPAC1-N,4-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
InChIKeyUTGQNNCQYDRXCH-UHFFFAOYSA-N
MW260.34 g/mol
LogP5.17
Rot. Bonds4

About 1-N,4-N-diphenylbenzene-1,4-diamine

1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 6319) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID6319
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1-N,4-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
InChIKeyUTGQNNCQYDRXCH-UHFFFAOYSA-N
XLogP5.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.17
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-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-diphenylbenzene-1,4-diamine (CID 6319) is 1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-diphenylbenzene-1,4-diamine is c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is UTGQNNCQYDRXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H.
What are the key properties of 1-N,4-N-diphenylbenzene-1,4-diamine?
1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 6319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).