4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine

C44H27N5 — CID 165382756

IUPAC4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3c4c(c(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc23)=NCN=4)cc1
InChIInChI=1S/C44H27N5/c1-2-12-29(13-3-1)41-36-24-35(42-43(46-26-45-42)40(36)34-16-8-9-17-37(34)47-41)39-25-38(32-20-18-27-10-4-6-14-30(27)22-32)48-44(49-39)33-21-19-28-11-5-7-15-31(28)23-33/h1-25H,26H2
InChIKeyMOHALUUDDOFBPK-UHFFFAOYSA-N
MW625.74 g/mol
LogP9.36
Rot. Bonds4

About 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine

4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine (PubChem CID 165382756) has the molecular formula C44H27N5 and a molecular weight of 625.74 g/mol. Its IUPAC name is 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine.

Molecular Properties

Compound Name4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine
PubChem CID165382756
Molecular FormulaC44H27N5
Molecular Weight625.74 g/mol
Exact Mass625.23
IUPAC Name4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3c4c(c(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc23)=NCN=4)cc1
InChIInChI=1S/C44H27N5/c1-2-12-29(13-3-1)41-36-24-35(42-43(46-26-45-42)40(36)34-16-8-9-17-37(34)47-41)39-25-38(32-20-18-27-10-4-6-14-30(27)22-32)48-44(49-39)33-21-19-28-11-5-7-15-31(28)23-33/h1-25H,26H2
InChIKeyMOHALUUDDOFBPK-UHFFFAOYSA-N
XLogP9.36
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.74
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-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

4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]-6-phenyl-2H-imidazo[4,5-k]phenanthridine
CID 165382909
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665355
4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-2H-imidazo[4,5-k]phenanthridine
CID 176877042
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
10-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6-phenylphenanthridine;10-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6-phenylphenanthridine
CID 161033409
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665734
8-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665310
4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167678679
6-naphthalen-2-yl-8-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665748
6-naphthalen-2-yl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665789
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine?
The IUPAC name of 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine (CID 165382756) is 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine.
What is the SMILES notation for 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine?
The canonical SMILES for 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine is c1ccc(-c2nc3ccccc3c3c4c(c(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cc23)=NCN=4)cc1.
What is the InChIKey of 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine?
The InChIKey is MOHALUUDDOFBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5/c1-2-12-29(13-3-1)41-36-24-35(42-43(46-26-45-42)40(36)34-16-8-9-17-37(34)47-41)39-25-38(32-20-18-27-10-4-6-14-30(27)22-32)48-44(49-39)33-21-19-28-11-5-7-15-31(28)23-33/h1-25H,26H2.
What are the key properties of 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine?
4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine has a molecular weight of 625.74 g/mol, XLogP of 9.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-2H-imidazo[4,5-k]phenanthridine is sourced from PubChem (CID 165382756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).