2-methyl-4-phenylphenanthro[9,10-d]pyrimidine

C23H16N2 — CID 140928944

IUPAC2-methyl-4-phenylphenanthro[9,10-d]pyrimidine
SMILESCc1nc(-c2ccccc2)c2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C23H16N2/c1-15-24-22(16-9-3-2-4-10-16)21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)23(21)25-15/h2-14H,1H3
InChIKeyLESVZBDAZABSPY-UHFFFAOYSA-N
MW320.40 g/mol
LogP5.91
Rot. Bonds1

About 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine

2-methyl-4-phenylphenanthro[9,10-d]pyrimidine (PubChem CID 140928944) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-phenylphenanthro[9,10-d]pyrimidine
PubChem CID140928944
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name2-methyl-4-phenylphenanthro[9,10-d]pyrimidine
SMILESCc1nc(-c2ccccc2)c2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C23H16N2/c1-15-24-22(16-9-3-2-4-10-16)21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)23(21)25-15/h2-14H,1H3
InChIKeyLESVZBDAZABSPY-UHFFFAOYSA-N
XLogP5.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine 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 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine?
The IUPAC name of 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine (CID 140928944) is 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine?
The canonical SMILES for 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine is Cc1nc(-c2ccccc2)c2c3ccccc3c3ccccc3c2n1.
What is the InChIKey of 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine?
The InChIKey is LESVZBDAZABSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-15-24-22(16-9-3-2-4-10-16)21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)23(21)25-15/h2-14H,1H3.
What are the key properties of 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine?
2-methyl-4-phenylphenanthro[9,10-d]pyrimidine has a molecular weight of 320.40 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylphenanthro[9,10-d]pyrimidine is sourced from PubChem (CID 140928944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).