2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine

C27H27N3 — CID 118404990

IUPAC2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
SMILESCc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(-c3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C27H27N3/c1-16-9-17(2)12-23(11-16)26-28-25(22-8-7-20(5)21(6)15-22)29-27(30-26)24-13-18(3)10-19(4)14-24/h7-15H,1-6H3
InChIKeyBKKSNSTVHKHAJC-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.72
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine

2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine (PubChem CID 118404990) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
PubChem CID118404990
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC Name2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
SMILESCc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(-c3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C27H27N3/c1-16-9-17(2)12-23(11-16)26-28-25(22-8-7-20(5)21(6)15-22)29-27(30-26)24-13-18(3)10-19(4)14-24/h7-15H,1-6H3
InChIKeyBKKSNSTVHKHAJC-UHFFFAOYSA-N
XLogP6.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine (CID 118404990) is 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine is Cc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(-c3ccc(C)c(C)c3)n2)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine?
The InChIKey is BKKSNSTVHKHAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3/c1-16-9-17(2)12-23(11-16)26-28-25(22-8-7-20(5)21(6)15-22)29-27(30-26)24-13-18(3)10-19(4)14-24/h7-15H,1-6H3.
What are the key properties of 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine?
2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine has a molecular weight of 393.53 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118404990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).