6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine

C32H20N2 — CID 122665268

IUPAC6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine
SMILESc1ccc2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)cncc2c1
InChIInChI=1S/C32H20N2/c1-4-10-26-21(7-1)17-18-28-31(26)27-11-5-6-12-30(27)34-32(28)23-15-13-22(14-16-23)29-20-33-19-24-8-2-3-9-25(24)29/h1-20H
InChIKeyMYBWLDCCOLPWKP-UHFFFAOYSA-N
MW432.53 g/mol
LogP8.42
Rot. Bonds2

About 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine

6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine (PubChem CID 122665268) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine.

Molecular Properties

Compound Name6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine
PubChem CID122665268
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine
SMILESc1ccc2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)cncc2c1
InChIInChI=1S/C32H20N2/c1-4-10-26-21(7-1)17-18-28-31(26)27-11-5-6-12-30(27)34-32(28)23-15-13-22(14-16-23)29-20-33-19-24-8-2-3-9-25(24)29/h1-20H
InChIKeyMYBWLDCCOLPWKP-UHFFFAOYSA-N
XLogP8.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(4-isoquinolin-4-ylphenyl)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-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane
CID 140759791
6-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122666027
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
CID 122665899
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine
CID 158293678
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-[4-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665786
6-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine
CID 122665499
6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol
CID 149095798
2-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]-1,3-benzothiazole
CID 122665649

Frequently Asked Questions

What is the IUPAC name of 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine?
The IUPAC name of 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine (CID 122665268) is 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine.
What is the SMILES notation for 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine?
The canonical SMILES for 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine is c1ccc2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)cncc2c1.
What is the InChIKey of 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine?
The InChIKey is MYBWLDCCOLPWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-4-10-26-21(7-1)17-18-28-31(26)27-11-5-6-12-30(27)34-32(28)23-15-13-22(14-16-23)29-20-33-19-24-8-2-3-9-25(24)29/h1-20H.
What are the key properties of 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine?
6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine has a molecular weight of 432.53 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine is sourced from PubChem (CID 122665268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).