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

C30H20N6 — CID 15564616

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C30H20N6/c1-5-13-21(14-6-1)25-31-26(22-15-7-2-8-16-22)34-29(33-25)30-35-27(23-17-9-3-10-18-23)32-28(36-30)24-19-11-4-12-20-24/h1-20H
InChIKeyDXDNZINGLLBTEO-UHFFFAOYSA-N
MW464.53 g/mol
LogP6.39
Rot. Bonds5

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

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 15564616) has the molecular formula C30H20N6 and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID15564616
Molecular FormulaC30H20N6
Molecular Weight464.53 g/mol
Exact Mass464.17
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C30H20N6/c1-5-13-21(14-6-1)25-31-26(22-15-7-2-8-16-22)34-29(33-25)30-35-27(23-17-9-3-10-18-23)32-28(36-30)24-19-11-4-12-20-24/h1-20H
InChIKeyDXDNZINGLLBTEO-UHFFFAOYSA-N
XLogP6.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 15564616) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DXDNZINGLLBTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N6/c1-5-13-21(14-6-1)25-31-26(22-15-7-2-8-16-22)34-29(33-25)30-35-27(23-17-9-3-10-18-23)32-28(36-30)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 464.53 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 15564616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).