4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine

C39H27N3 — CID 171060190

IUPAC4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2nnnc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C39H27N3/c1-4-16-28(17-5-1)31-22-10-12-24-33(31)34-25-13-15-27-36(34)39-37(38(40-42-41-39)30-20-8-3-9-21-30)35-26-14-11-23-32(35)29-18-6-2-7-19-29/h1-27H
InChIKeyXXYRGWVLJRMTDO-UHFFFAOYSA-N
MW537.67 g/mol
LogP9.87
Rot. Bonds6

About 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine

4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine (PubChem CID 171060190) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine.

Molecular Properties

Compound Name4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
PubChem CID171060190
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC Name4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2nnnc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C39H27N3/c1-4-16-28(17-5-1)31-22-10-12-24-33(31)34-25-13-15-27-36(34)39-37(38(40-42-41-39)30-20-8-3-9-21-30)35-26-14-11-23-32(35)29-18-6-2-7-19-29/h1-27H
InChIKeyXXYRGWVLJRMTDO-UHFFFAOYSA-N
XLogP9.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
CID 175875594
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551
[3-[2-(5,6-diphenyltriazin-4-yl)phenyl]-4-(2-phenylphenyl)selenophen-2-yl]-selenophen-2-yldiazene
CID 175869265
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
4,5-diphenyl-6-(2-phosphorosophenyl)triazine
CID 170309692
4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine?
The IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine (CID 171060190) is 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine.
What is the SMILES notation for 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine?
The canonical SMILES for 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine is c1ccc(-c2ccccc2-c2ccccc2-c2nnnc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine?
The InChIKey is XXYRGWVLJRMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-4-16-28(17-5-1)31-22-10-12-24-33(31)34-25-13-15-27-36(34)39-37(38(40-42-41-39)30-20-8-3-9-21-30)35-26-14-11-23-32(35)29-18-6-2-7-19-29/h1-27H.
What are the key properties of 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine?
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine has a molecular weight of 537.67 g/mol, XLogP of 9.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine is sourced from PubChem (CID 171060190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).