8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine

C53H33N5 — CID 118332233

IUPAC8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5n4)cc(-c4cc5c(-c6ccccc6)nc6ccccc6c5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C53H33N5/c1-4-17-35(18-5-1)50-45-33-44(41-23-11-12-24-42(41)49(45)43-25-13-15-27-48(43)55-50)38-30-39(47-29-28-34-16-10-14-26-46(34)54-47)32-40(31-38)53-57-51(36-19-6-2-7-20-36)56-52(58-53)37-21-8-3-9-22-37/h1-33H
InChIKeyWJZRZRKJRIJQDG-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.28
Rot. Bonds6

About 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine

8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine (PubChem CID 118332233) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine.

Molecular Properties

Compound Name8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
PubChem CID118332233
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5n4)cc(-c4cc5c(-c6ccccc6)nc6ccccc6c5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C53H33N5/c1-4-17-35(18-5-1)50-45-33-44(41-23-11-12-24-42(41)49(45)43-25-13-15-27-48(43)55-50)38-30-39(47-29-28-34-16-10-14-26-46(34)54-47)32-40(31-38)53-57-51(36-19-6-2-7-20-36)56-52(58-53)37-21-8-3-9-22-37/h1-33H
InChIKeyWJZRZRKJRIJQDG-UHFFFAOYSA-N
XLogP13.28
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine with MolForge

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Related Compounds

1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine
CID 865238
2,4-Diamino-5-[2-[2-naphthyl]ethyl]quinazoline
CID 588277
6-(4-Methyl-piperazin-1-yl)-benzo[k]phenanthridine
CID 10381797
2,4-Diphenylbenzo(h)quinazoline
CID 3466745
3,7-Dimethyldibenzo[b,g][1,8]naphthyridin-11-amine
CID 865237
6-Piperazin-1-yl-benzo[k]phenanthridine
CID 10041280
6-(4-Ethyl-piperazin-1-yl)-benzo[k]phenanthridine
CID 10315280
6-(4-Methyl-piperazin-1-yl)-7,8-dihydro-benzo[k]phenanthridine
CID 10381927
6-(4-Ethyl-piperazin-1-yl)-7,8-dihydro-benzo[k]phenanthridine
CID 10450144
12-Phenylquinolino[2,3-b]quinoline;hydrochloride
CID 137646301
N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 155515610
cis-1-[2,4-Diaminoquinazol-5-yl]-2-[2-naphthyl]ethylene
CID 5375003

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine?
The IUPAC name of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine (CID 118332233) is 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine.
What is the SMILES notation for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine?
The canonical SMILES for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5n4)cc(-c4cc5c(-c6ccccc6)nc6ccccc6c5c5ccccc45)c3)n2)cc1.
What is the InChIKey of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine?
The InChIKey is WJZRZRKJRIJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-4-17-35(18-5-1)50-45-33-44(41-23-11-12-24-42(41)49(45)43-25-13-15-27-48(43)55-50)38-30-39(47-29-28-34-16-10-14-26-46(34)54-47)32-40(31-38)53-57-51(36-19-6-2-7-20-36)56-52(58-53)37-21-8-3-9-22-37/h1-33H.
What are the key properties of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine?
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine has a molecular weight of 739.88 g/mol, XLogP of 13.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine is sourced from PubChem (CID 118332233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).