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

C38H31N9 — CID 134954992

IUPAC2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc(-c3ccc(-c4nc(C)nc(-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cc6)cc5)n4)cc3)cc2)n1
InChIInChI=1S/C38H31N9/c1-22-39-23(2)42-35(41-22)31-14-6-27(7-15-31)29-10-18-33(19-11-29)37-45-26(5)46-38(47-37)34-20-12-30(13-21-34)28-8-16-32(17-9-28)36-43-24(3)40-25(4)44-36/h6-21H,1-5H3
InChIKeyPDRKHPHFIJPEAK-UHFFFAOYSA-N
MW613.73 g/mol
LogP7.79
Rot. Bonds6

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

2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine (PubChem CID 134954992) has the molecular formula C38H31N9 and a molecular weight of 613.73 g/mol. Its IUPAC name is 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine
PubChem CID134954992
Molecular FormulaC38H31N9
Molecular Weight613.73 g/mol
Exact Mass613.27
IUPAC Name2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc(-c3ccc(-c4nc(C)nc(-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cc6)cc5)n4)cc3)cc2)n1
InChIInChI=1S/C38H31N9/c1-22-39-23(2)42-35(41-22)31-14-6-27(7-15-31)29-10-18-33(19-11-29)37-45-26(5)46-38(47-37)34-20-12-30(13-21-34)28-8-16-32(17-9-28)36-43-24(3)40-25(4)44-36/h6-21H,1-5H3
InChIKeyPDRKHPHFIJPEAK-UHFFFAOYSA-N
XLogP7.79
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.73
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-Tris(4-methylphenyl)-1,3,5-triazine
CID 23182
Tris-biphenyl triazine
CID 11628027
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006
2,4-Bis(4-(tert-butyl)phenyl)-6-chloro-1,3,5-triazine (This product is only available in Japan.)
CID 22475991
2-([1,1'-Biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine
CID 117770458
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988
6,6'-((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(2,4-diphenyl-1,3,5-triazine)
CID 139500797
4-[3-(4-Amino-6-prop-1-en-2-yl-1,3,5-triazin-2-yl)phenyl]-6-prop-1-en-2-yl-1,3,5-triazin-2-amine
CID 338905
2,4-Bis(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 576224
2,4-Diphenyl-6-(p-tolyl)-1,3,5-triazine
CID 27684
2,4-Diphenyl-6-(o-tolyl)-1,3,5-triazine
CID 12689833
2,4,6-Tris(2-methylphenyl)-1,3,5-triazine
CID 14148361

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine (CID 134954992) is 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine is Cc1nc(C)nc(-c2ccc(-c3ccc(-c4nc(C)nc(-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cc6)cc5)n4)cc3)cc2)n1.
What is the InChIKey of 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine?
The InChIKey is PDRKHPHFIJPEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N9/c1-22-39-23(2)42-35(41-22)31-14-6-27(7-15-31)29-10-18-33(19-11-29)37-45-26(5)46-38(47-37)34-20-12-30(13-21-34)28-8-16-32(17-9-28)36-43-24(3)40-25(4)44-36/h6-21H,1-5H3.
What are the key properties of 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine?
2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine has a molecular weight of 613.73 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine is sourced from PubChem (CID 134954992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).