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

C53H33N7 — CID 122665422

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c4cc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4ccccc45)cc3)n2)cc1
InChIInChI=1S/C53H33N7/c1-5-17-35(18-6-1)48-55-49(36-19-7-2-8-20-36)57-52(56-48)39-31-29-34(30-32-39)47-44-33-43(40-25-13-14-26-41(40)46(44)42-27-15-16-28-45(42)54-47)53-59-50(37-21-9-3-10-22-37)58-51(60-53)38-23-11-4-12-24-38/h1-33H
InChIKeyJXEUPXCAIPTBFV-UHFFFAOYSA-N
MW767.90 g/mol
LogP12.58
Rot. Bonds7

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

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine (PubChem CID 122665422) has the molecular formula C53H33N7 and a molecular weight of 767.90 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
PubChem CID122665422
Molecular FormulaC53H33N7
Molecular Weight767.90 g/mol
Exact Mass767.28
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c4cc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4ccccc45)cc3)n2)cc1
InChIInChI=1S/C53H33N7/c1-5-17-35(18-6-1)48-55-49(36-19-7-2-8-20-36)57-52(56-48)39-31-29-34(30-32-39)47-44-33-43(40-25-13-14-26-41(40)46(44)42-27-15-16-28-45(42)54-47)53-59-50(37-21-9-3-10-22-37)58-51(60-53)38-23-11-4-12-24-38/h1-33H
InChIKeyJXEUPXCAIPTBFV-UHFFFAOYSA-N
XLogP12.58
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.90
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[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-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine (CID 122665422) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5c5c4cc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4ccccc45)cc3)n2)cc1.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine?
The InChIKey is JXEUPXCAIPTBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N7/c1-5-17-35(18-6-1)48-55-49(36-19-7-2-8-20-36)57-52(56-48)39-31-29-34(30-32-39)47-44-33-43(40-25-13-14-26-41(40)46(44)42-27-15-16-28-45(42)54-47)53-59-50(37-21-9-3-10-22-37)58-51(60-53)38-23-11-4-12-24-38/h1-33H.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine has a molecular weight of 767.90 g/mol, XLogP of 12.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122665422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).