6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine

C43H27N3 — CID 122665395

IUPAC6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C43H27N3/c1-2-11-31(12-3-1)41-36-15-7-9-17-39(36)45-43(46-41)33-24-20-29(21-25-33)28-18-22-32(23-19-28)42-37-27-26-30-10-4-5-13-34(30)40(37)35-14-6-8-16-38(35)44-42/h1-27H
InChIKeyRCCIBZHBDXEPIC-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine

6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine (PubChem CID 122665395) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
PubChem CID122665395
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C43H27N3/c1-2-11-31(12-3-1)41-36-15-7-9-17-39(36)45-43(46-41)33-24-20-29(21-25-33)28-18-22-32(23-19-28)42-37-27-26-30-10-4-5-13-34(30)40(37)35-14-6-8-16-38(35)44-42/h1-27H
InChIKeyRCCIBZHBDXEPIC-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine 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

6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122666027
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
5-[4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[i]phenanthridine
CID 147439693
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[i]phenanthridine
CID 155792697
5-[4-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[i]phenanthridine
CID 147611167
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
6-[4-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665786

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine (CID 122665395) is 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)nc3ccccc23)cc1.
What is the InChIKey of 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine?
The InChIKey is RCCIBZHBDXEPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-2-11-31(12-3-1)41-36-15-7-9-17-39(36)45-43(46-41)33-24-20-29(21-25-33)28-18-22-32(23-19-28)42-37-27-26-30-10-4-5-13-34(30)40(37)35-14-6-8-16-38(35)44-42/h1-27H.
What are the key properties of 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine?
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine has a molecular weight of 585.71 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122665395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).