4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine

C40H26N4 — CID 146548674

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C40H26N4/c1-5-15-27(16-6-1)31-23-13-24-32-35(31)33-25-14-26-34(37(33)41-36(32)28-17-7-2-8-18-28)40-43-38(29-19-9-3-10-20-29)42-39(44-40)30-21-11-4-12-22-30/h1-26H
InChIKeyNPRQCRGOEASWSF-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

About 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine (PubChem CID 146548674) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
PubChem CID146548674
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C40H26N4/c1-5-15-27(16-6-1)31-23-13-24-32-35(31)33-25-14-26-34(37(33)41-36(32)28-17-7-2-8-18-28)40-43-38(29-19-9-3-10-20-29)42-39(44-40)30-21-11-4-12-22-30/h1-26H
InChIKeyNPRQCRGOEASWSF-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 146548291
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549107
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;6,10-diphenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,10-diphenylphenanthridine
CID 159557083
4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549913
4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146549386
4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549222
6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
CID 146548667
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165382875
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
4-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548647
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine (CID 146548674) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine?
The InChIKey is NPRQCRGOEASWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-5-15-27(16-6-1)31-23-13-24-32-35(31)33-25-14-26-34(37(33)41-36(32)28-17-7-2-8-18-28)40-43-38(29-19-9-3-10-20-29)42-39(44-40)30-21-11-4-12-22-30/h1-26H.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine has a molecular weight of 562.68 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine is sourced from PubChem (CID 146548674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).