2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine

C34H28N6 — CID 59002233

IUPAC2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3nc(-c4ccc(C)cc4)nc(-c4ccc(C)cc4)n3)n2)cc1
InChIInChI=1S/C34H28N6/c1-21-5-13-25(14-6-21)29-35-30(26-15-7-22(2)8-16-26)38-33(37-29)34-39-31(27-17-9-23(3)10-18-27)36-32(40-34)28-19-11-24(4)12-20-28/h5-20H,1-4H3
InChIKeyJRFNVLWDSIZMPM-UHFFFAOYSA-N
MW520.64 g/mol
LogP7.63
Rot. Bonds5

About 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine

2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine (PubChem CID 59002233) has the molecular formula C34H28N6 and a molecular weight of 520.64 g/mol. Its IUPAC name is 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
PubChem CID59002233
Molecular FormulaC34H28N6
Molecular Weight520.64 g/mol
Exact Mass520.24
IUPAC Name2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3nc(-c4ccc(C)cc4)nc(-c4ccc(C)cc4)n3)n2)cc1
InChIInChI=1S/C34H28N6/c1-21-5-13-25(14-6-21)29-35-30(26-15-7-22(2)8-16-26)38-33(37-29)34-39-31(27-17-9-23(3)10-18-27)36-32(40-34)28-19-11-24(4)12-20-28/h5-20H,1-4H3
InChIKeyJRFNVLWDSIZMPM-UHFFFAOYSA-N
XLogP7.63
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine (CID 59002233) is 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3nc(-c4ccc(C)cc4)nc(-c4ccc(C)cc4)n3)n2)cc1.
What is the InChIKey of 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The InChIKey is JRFNVLWDSIZMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N6/c1-21-5-13-25(14-6-21)29-35-30(26-15-7-22(2)8-16-26)38-33(37-29)34-39-31(27-17-9-23(3)10-18-27)36-32(40-34)28-19-11-24(4)12-20-28/h5-20H,1-4H3.
What are the key properties of 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine has a molecular weight of 520.64 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 59002233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).