1,2-diphenylpyrrole-3,4-diamine

C16H15N3 — CID 67204973

IUPAC1,2-diphenylpyrrole-3,4-diamine
SMILESNc1cn(-c2ccccc2)c(-c2ccccc2)c1N
InChIInChI=1S/C16H15N3/c17-14-11-19(13-9-5-2-6-10-13)16(15(14)18)12-7-3-1-4-8-12/h1-11H,17-18H2
InChIKeyRYDZMSHNHGGORO-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.31
Rot. Bonds2

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

1,2-diphenylpyrrole-3,4-diamine (PubChem CID 67204973) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1,2-diphenylpyrrole-3,4-diamine.

Molecular Properties

Compound Name1,2-diphenylpyrrole-3,4-diamine
PubChem CID67204973
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1,2-diphenylpyrrole-3,4-diamine
SMILESNc1cn(-c2ccccc2)c(-c2ccccc2)c1N
InChIInChI=1S/C16H15N3/c17-14-11-19(13-9-5-2-6-10-13)16(15(14)18)12-7-3-1-4-8-12/h1-11H,17-18H2
InChIKeyRYDZMSHNHGGORO-UHFFFAOYSA-N
XLogP3.31
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylpyrrole-3,4-diamine?
The IUPAC name of 1,2-diphenylpyrrole-3,4-diamine (CID 67204973) is 1,2-diphenylpyrrole-3,4-diamine.
What is the SMILES notation for 1,2-diphenylpyrrole-3,4-diamine?
The canonical SMILES for 1,2-diphenylpyrrole-3,4-diamine is Nc1cn(-c2ccccc2)c(-c2ccccc2)c1N.
What is the InChIKey of 1,2-diphenylpyrrole-3,4-diamine?
The InChIKey is RYDZMSHNHGGORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-14-11-19(13-9-5-2-6-10-13)16(15(14)18)12-7-3-1-4-8-12/h1-11H,17-18H2.
What are the key properties of 1,2-diphenylpyrrole-3,4-diamine?
1,2-diphenylpyrrole-3,4-diamine has a molecular weight of 249.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylpyrrole-3,4-diamine is sourced from PubChem (CID 67204973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).