5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one

C38H24N2O2 — CID 86007842

IUPAC5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1-c1ccc(-c2ccc(-n3c(=O)c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C38H24N2O2/c41-37-33-13-3-1-9-29(33)31-11-5-7-15-35(31)39(37)27-21-17-25(18-22-27)26-19-23-28(24-20-26)40-36-16-8-6-12-32(36)30-10-2-4-14-34(30)38(40)42/h1-24H
InChIKeyZFQCIUANCIYPEN-UHFFFAOYSA-N
MW540.62 g/mol
LogP8.27
Rot. Bonds3

About 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one

5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one (PubChem CID 86007842) has the molecular formula C38H24N2O2 and a molecular weight of 540.62 g/mol. Its IUPAC name is 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one.

Molecular Properties

Compound Name5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
PubChem CID86007842
Molecular FormulaC38H24N2O2
Molecular Weight540.62 g/mol
Exact Mass540.18
IUPAC Name5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1-c1ccc(-c2ccc(-n3c(=O)c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C38H24N2O2/c41-37-33-13-3-1-9-29(33)31-11-5-7-15-35(31)39(37)27-21-17-25(18-22-27)26-19-23-28(24-20-26)40-36-16-8-6-12-32(36)30-10-2-4-14-34(30)38(40)42/h1-24H
InChIKeyZFQCIUANCIYPEN-UHFFFAOYSA-N
XLogP8.27
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]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

5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one
CID 90379871
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
15,20-diphenyl-11-[4-(4-phenylphenyl)phenyl]-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933457
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one
CID 90379936
11-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390314
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one?
The IUPAC name of 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one (CID 86007842) is 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one.
What is the SMILES notation for 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one?
The canonical SMILES for 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one is O=c1c2ccccc2c2ccccc2n1-c1ccc(-c2ccc(-n3c(=O)c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one?
The InChIKey is ZFQCIUANCIYPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O2/c41-37-33-13-3-1-9-29(33)31-11-5-7-15-35(31)39(37)27-21-17-25(18-22-27)26-19-23-28(24-20-26)40-36-16-8-6-12-32(36)30-10-2-4-14-34(30)38(40)42/h1-24H.
What are the key properties of 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one?
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one has a molecular weight of 540.62 g/mol, XLogP of 8.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one is sourced from PubChem (CID 86007842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).