2,3-diphenylphenanthro[9,10-d]imidazole

C27H18N2 — CID 632862

IUPAC2,3-diphenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C27H18N2/c1-3-11-19(12-4-1)27-28-25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)29(27)20-13-5-2-6-14-20/h1-18H
InChIKeyNRNMJBKBDMSYLI-UHFFFAOYSA-N
MW370.46 g/mol
LogP7.00
Rot. Bonds2

About 2,3-diphenylphenanthro[9,10-d]imidazole

2,3-diphenylphenanthro[9,10-d]imidazole (PubChem CID 632862) has the molecular formula C27H18N2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2,3-diphenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2,3-diphenylphenanthro[9,10-d]imidazole
PubChem CID632862
Molecular FormulaC27H18N2
Molecular Weight370.46 g/mol
Exact Mass370.15
IUPAC Name2,3-diphenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C27H18N2/c1-3-11-19(12-4-1)27-28-25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)29(27)20-13-5-2-6-14-20/h1-18H
InChIKeyNRNMJBKBDMSYLI-UHFFFAOYSA-N
XLogP7.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-diphenylphenanthro[9,10-d]imidazole 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 2,3-diphenylphenanthro[9,10-d]imidazole?
The IUPAC name of 2,3-diphenylphenanthro[9,10-d]imidazole (CID 632862) is 2,3-diphenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 2,3-diphenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 2,3-diphenylphenanthro[9,10-d]imidazole is c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenylphenanthro[9,10-d]imidazole?
The InChIKey is NRNMJBKBDMSYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2/c1-3-11-19(12-4-1)27-28-25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)29(27)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 2,3-diphenylphenanthro[9,10-d]imidazole?
2,3-diphenylphenanthro[9,10-d]imidazole has a molecular weight of 370.46 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 632862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).