3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine

C50H34F2N4 — CID 134591916

IUPAC3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccc(F)cc3)nc3cc(-c4cc(C5=CC=CCN5)cc(-c5ccccn5)c4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12
InChIInChI=1S/C50H34F2N4/c1-29-45-39-9-3-4-12-43(39)55-49(31-13-18-37(51)19-14-31)47(45)30(2)46-40-22-17-33(28-44(40)56-50(48(29)46)32-15-20-38(52)21-16-32)34-25-35(41-10-5-7-23-53-41)27-36(26-34)42-11-6-8-24-54-42/h3-23,25-28,54H,24H2,1-2H3
InChIKeyWLDHITIWAATGEA-UHFFFAOYSA-N
MW728.85 g/mol
LogP12.55
Rot. Bonds5

About 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine

3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine (PubChem CID 134591916) has the molecular formula C50H34F2N4 and a molecular weight of 728.85 g/mol. Its IUPAC name is 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine.

Molecular Properties

Compound Name3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
PubChem CID134591916
Molecular FormulaC50H34F2N4
Molecular Weight728.85 g/mol
Exact Mass728.28
IUPAC Name3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccc(F)cc3)nc3cc(-c4cc(C5=CC=CCN5)cc(-c5ccccn5)c4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12
InChIInChI=1S/C50H34F2N4/c1-29-45-39-9-3-4-12-43(39)55-49(31-13-18-37(51)19-14-31)47(45)30(2)46-40-22-17-33(28-44(40)56-50(48(29)46)32-15-20-38(52)21-16-32)34-25-35(41-10-5-7-23-53-41)27-36(26-34)42-11-6-8-24-54-42/h3-23,25-28,54H,24H2,1-2H3
InChIKeyWLDHITIWAATGEA-UHFFFAOYSA-N
XLogP12.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.85
LogP ≤ 512.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine 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 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine?
The IUPAC name of 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine (CID 134591916) is 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine.
What is the SMILES notation for 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine?
The canonical SMILES for 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccc(F)cc3)nc3cc(-c4cc(C5=CC=CCN5)cc(-c5ccccn5)c4)ccc3c2c(C)c2c(-c3ccc(F)cc3)nc3ccccc3c12.
What is the InChIKey of 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine?
The InChIKey is WLDHITIWAATGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34F2N4/c1-29-45-39-9-3-4-12-43(39)55-49(31-13-18-37(51)19-14-31)47(45)30(2)46-40-22-17-33(28-44(40)56-50(48(29)46)32-15-20-38(52)21-16-32)34-25-35(41-10-5-7-23-53-41)27-36(26-34)42-11-6-8-24-54-42/h3-23,25-28,54H,24H2,1-2H3.
What are the key properties of 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine?
3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine has a molecular weight of 728.85 g/mol, XLogP of 12.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]-6,13-bis(4-fluorophenyl)-7,14-dimethylquinolino[4,3-j]phenanthridine is sourced from PubChem (CID 134591916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).