2,4,6-tris(3-phenylphenyl)-1,3,5-triazine

C39H27N3 — CID 59336459

IUPAC2,4,6-tris(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C39H27N3/c1-4-13-28(14-5-1)31-19-10-22-34(25-31)37-40-38(35-23-11-20-32(26-35)29-15-6-2-7-16-29)42-39(41-37)36-24-12-21-33(27-36)30-17-8-3-9-18-30/h1-27H
InChIKeyMMNNWKCYXNXWBG-UHFFFAOYSA-N
MW537.67 g/mol
LogP9.87
Rot. Bonds6

About 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine

2,4,6-tris(3-phenylphenyl)-1,3,5-triazine (PubChem CID 59336459) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(3-phenylphenyl)-1,3,5-triazine
PubChem CID59336459
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC Name2,4,6-tris(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C39H27N3/c1-4-13-28(14-5-1)31-19-10-22-34(25-31)37-40-38(35-23-11-20-32(26-35)29-15-6-2-7-16-29)42-39(41-37)36-24-12-21-33(27-36)30-17-8-3-9-18-30/h1-27H
InChIKeyMMNNWKCYXNXWBG-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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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine (CID 59336459) is 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is MMNNWKCYXNXWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-4-13-28(14-5-1)31-19-10-22-34(25-31)37-40-38(35-23-11-20-32(26-35)29-15-6-2-7-16-29)42-39(41-37)36-24-12-21-33(27-36)30-17-8-3-9-18-30/h1-27H.
What are the key properties of 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine?
2,4,6-tris(3-phenylphenyl)-1,3,5-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 2,4,6-tris(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 59336459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).