8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine

C48H28N6 — CID 122665867

IUPAC8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
SMILESc1ccc2cc(-c3nc4ccccc4c4c3cc(-c3nc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)n3)c3ccccc34)ccc2c1
InChIInChI=1S/C48H28N6/c1-2-12-32-27-33(24-23-29(32)11-1)45-40-28-39(34-17-3-4-18-35(34)42(40)36-19-5-6-22-41(36)51-45)48-53-46(37-20-7-13-30-15-9-25-49-43(30)37)52-47(54-48)38-21-8-14-31-16-10-26-50-44(31)38/h1-28H
InChIKeyYZCLQJHMRXQCDF-UHFFFAOYSA-N
MW688.79 g/mol
LogP11.64
Rot. Bonds4

About 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine

8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine (PubChem CID 122665867) has the molecular formula C48H28N6 and a molecular weight of 688.79 g/mol. Its IUPAC name is 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine.

Molecular Properties

Compound Name8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
PubChem CID122665867
Molecular FormulaC48H28N6
Molecular Weight688.79 g/mol
Exact Mass688.24
IUPAC Name8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
SMILESc1ccc2cc(-c3nc4ccccc4c4c3cc(-c3nc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)n3)c3ccccc34)ccc2c1
InChIInChI=1S/C48H28N6/c1-2-12-32-27-33(24-23-29(32)11-1)45-40-28-39(34-17-3-4-18-35(34)42(40)36-19-5-6-22-41(36)51-45)48-53-46(37-20-7-13-30-15-9-25-49-43(30)37)52-47(54-48)38-21-8-14-31-16-10-26-50-44(31)38/h1-28H
InChIKeyYZCLQJHMRXQCDF-UHFFFAOYSA-N
XLogP11.64
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.79
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine with MolForge

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Related Compounds

8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665941
8-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665862
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702
8-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665427
8-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665606
8-[3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665704
8-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665222
6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine
CID 122666089
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
8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665988
6-naphthalen-2-yl-8-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665748

Frequently Asked Questions

What is the IUPAC name of 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
The IUPAC name of 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine (CID 122665867) is 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine.
What is the SMILES notation for 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
The canonical SMILES for 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine is c1ccc2cc(-c3nc4ccccc4c4c3cc(-c3nc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)n3)c3ccccc34)ccc2c1.
What is the InChIKey of 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
The InChIKey is YZCLQJHMRXQCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N6/c1-2-12-32-27-33(24-23-29(32)11-1)45-40-28-39(34-17-3-4-18-35(34)42(40)36-19-5-6-22-41(36)51-45)48-53-46(37-20-7-13-30-15-9-25-49-43(30)37)52-47(54-48)38-21-8-14-31-16-10-26-50-44(31)38/h1-28H.
What are the key properties of 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine has a molecular weight of 688.79 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine is sourced from PubChem (CID 122665867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).