2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one

C39H25NO — CID 134576225

IUPAC2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)ccc2n1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C39H25NO/c41-39-34-22-12-7-17-29(34)35-25-28(26-13-3-1-4-14-26)23-24-36(35)40(39)38-32-20-10-8-18-30(32)37(27-15-5-2-6-16-27)31-19-9-11-21-33(31)38/h1-25H
InChIKeyLCFAVJWOEHFPKT-UHFFFAOYSA-N
MW523.64 g/mol
LogP9.78
Rot. Bonds3

About 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one

2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one (PubChem CID 134576225) has the molecular formula C39H25NO and a molecular weight of 523.64 g/mol. Its IUPAC name is 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one.

Molecular Properties

Compound Name2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
PubChem CID134576225
Molecular FormulaC39H25NO
Molecular Weight523.64 g/mol
Exact Mass523.19
IUPAC Name2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)ccc2n1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C39H25NO/c41-39-34-22-12-7-17-29(34)35-25-28(26-13-3-1-4-14-26)23-24-36(35)40(39)38-32-20-10-8-18-30(32)37(27-15-5-2-6-16-27)31-19-9-11-21-33(31)38/h1-25H
InChIKeyLCFAVJWOEHFPKT-UHFFFAOYSA-N
XLogP9.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
2,9-dimethyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576404
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one
CID 134576288
9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377424
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
CID 134576389

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one?
The IUPAC name of 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one (CID 134576225) is 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one.
What is the SMILES notation for 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one?
The canonical SMILES for 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one is O=c1c2ccccc2c2cc(-c3ccccc3)ccc2n1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one?
The InChIKey is LCFAVJWOEHFPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25NO/c41-39-34-22-12-7-17-29(34)35-25-28(26-13-3-1-4-14-26)23-24-36(35)40(39)38-32-20-10-8-18-30(32)37(27-15-5-2-6-16-27)31-19-9-11-21-33(31)38/h1-25H.
What are the key properties of 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one?
2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one has a molecular weight of 523.64 g/mol, XLogP of 9.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one is sourced from PubChem (CID 134576225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).