1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one

C31H21N3OS — CID 71732608

IUPAC1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccccc3)cc(-c3ccccc3)nc2n(-c2ccccc2)c(=S)n1-c1ccccc1
InChIInChI=1S/C31H21N3OS/c35-30-28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)32-29(28)33(24-17-9-3-10-18-24)31(36)34(30)25-19-11-4-12-20-25/h1-21H
InChIKeyRBJLECCDMXNYKD-UHFFFAOYSA-N
MW483.60 g/mol
LogP7.24
Rot. Bonds4

About 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one

1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one (PubChem CID 71732608) has the molecular formula C31H21N3OS and a molecular weight of 483.60 g/mol. Its IUPAC name is 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
PubChem CID71732608
Molecular FormulaC31H21N3OS
Molecular Weight483.60 g/mol
Exact Mass483.14
IUPAC Name1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccccc3)cc(-c3ccccc3)nc2n(-c2ccccc2)c(=S)n1-c1ccccc1
InChIInChI=1S/C31H21N3OS/c35-30-28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)32-29(28)33(24-17-9-3-10-18-24)31(36)34(30)25-19-11-4-12-20-25/h1-21H
InChIKeyRBJLECCDMXNYKD-UHFFFAOYSA-N
XLogP7.24
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one (CID 71732608) is 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one is O=c1c2c(-c3ccccc3)cc(-c3ccccc3)nc2n(-c2ccccc2)c(=S)n1-c1ccccc1.
What is the InChIKey of 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one?
The InChIKey is RBJLECCDMXNYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3OS/c35-30-28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)32-29(28)33(24-17-9-3-10-18-24)31(36)34(30)25-19-11-4-12-20-25/h1-21H.
What are the key properties of 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one?
1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one has a molecular weight of 483.60 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetraphenyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71732608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).