6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine

C49H29N5 — CID 122665365

IUPAC6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine
SMILESc1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)c5ncccc45)n3)cccc2c1
InChIInChI=1S/C49H29N5/c1-4-17-33-30(12-1)15-9-21-37(33)47-52-48(38-22-10-16-31-13-2-5-18-34(31)38)54-49(53-47)39-27-28-42(45-36(39)23-11-29-50-45)46-41-26-25-32-14-3-6-19-35(32)44(41)40-20-7-8-24-43(40)51-46/h1-29H
InChIKeyJQWLPYJFXVRNTC-UHFFFAOYSA-N
MW687.81 g/mol
LogP12.25
Rot. Bonds4

About 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine

6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine (PubChem CID 122665365) has the molecular formula C49H29N5 and a molecular weight of 687.81 g/mol. Its IUPAC name is 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine
PubChem CID122665365
Molecular FormulaC49H29N5
Molecular Weight687.81 g/mol
Exact Mass687.24
IUPAC Name6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine
SMILESc1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)c5ncccc45)n3)cccc2c1
InChIInChI=1S/C49H29N5/c1-4-17-33-30(12-1)15-9-21-37(33)47-52-48(38-22-10-16-31-13-2-5-18-34(31)38)54-49(53-47)39-27-28-42(45-36(39)23-11-29-50-45)46-41-26-25-32-14-3-6-19-35(32)44(41)40-20-7-8-24-43(40)51-46/h1-29H
InChIKeyJQWLPYJFXVRNTC-UHFFFAOYSA-N
XLogP12.25
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.81
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]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-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665547
6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665500
6-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 135199013
6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
CID 146231062
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
6-[2-(1,10-phenanthrolin-4-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-3-amine
CID 171055123
8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665867
13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
CID 175483832
8-[4-phenyl-6-[6-(4-phenyl-6-quinolin-8-yl-1,3,5-triazin-2-yl)pyren-1-yl]-1,3,5-triazin-2-yl]quinoline
CID 146230600
6-[3-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]benzo[k]phenanthridine
CID 146408560
22-[3-[5-(1,10-phenanthrolin-4-yl)quinolin-8-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146231307
7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
CID 155792694

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
The IUPAC name of 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine (CID 122665365) is 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
The canonical SMILES for 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine is c1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)c5ncccc45)n3)cccc2c1.
What is the InChIKey of 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
The InChIKey is JQWLPYJFXVRNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5/c1-4-17-33-30(12-1)15-9-21-37(33)47-52-48(38-22-10-16-31-13-2-5-18-34(31)38)54-49(53-47)39-27-28-42(45-36(39)23-11-29-50-45)46-41-26-25-32-14-3-6-19-35(32)44(41)40-20-7-8-24-43(40)51-46/h1-29H.
What are the key properties of 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine has a molecular weight of 687.81 g/mol, XLogP of 12.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine is sourced from PubChem (CID 122665365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).