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

C30H25N9 — CID 176843031

IUPAC2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine
SMILESCc1nc(C)nc(-c2cccc(-c3nc(C)nc(-c4cc(-c5nc(C)nc(C)n5)cc5ccccc45)n3)c2)n1
InChIInChI=1S/C30H25N9/c1-16-31-17(2)34-27(33-16)22-10-8-11-23(14-22)28-37-20(5)38-30(39-28)26-15-24(13-21-9-6-7-12-25(21)26)29-35-18(3)32-19(4)36-29/h6-15H,1-5H3
InChIKeyWDQANHOQWBDWIQ-UHFFFAOYSA-N
MW511.59 g/mol
LogP5.60
Rot. Bonds4

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

2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine (PubChem CID 176843031) has the molecular formula C30H25N9 and a molecular weight of 511.59 g/mol. Its IUPAC name is 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine
PubChem CID176843031
Molecular FormulaC30H25N9
Molecular Weight511.59 g/mol
Exact Mass511.22
IUPAC Name2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine
SMILESCc1nc(C)nc(-c2cccc(-c3nc(C)nc(-c4cc(-c5nc(C)nc(C)n5)cc5ccccc45)n3)c2)n1
InChIInChI=1S/C30H25N9/c1-16-31-17(2)34-27(33-16)22-10-8-11-23(14-22)28-37-20(5)38-30(39-28)26-15-24(13-21-9-6-7-12-25(21)26)29-35-18(3)32-19(4)36-29/h6-15H,1-5H3
InChIKeyWDQANHOQWBDWIQ-UHFFFAOYSA-N
XLogP5.60
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)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-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 176842995
2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 176587633
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155603318
2-[3,5-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842963
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842997
2-methyl-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-methyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-methyl-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
CID 162051408
2-(4-naphthalen-1-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730897
2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278748
2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730921
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2,4-dimethyl-6-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]-1,3,5-triazine
CID 130355599

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine?
The IUPAC name of 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine (CID 176843031) is 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine is Cc1nc(C)nc(-c2cccc(-c3nc(C)nc(-c4cc(-c5nc(C)nc(C)n5)cc5ccccc45)n3)c2)n1.
What is the InChIKey of 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine?
The InChIKey is WDQANHOQWBDWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N9/c1-16-31-17(2)34-27(33-16)22-10-8-11-23(14-22)28-37-20(5)38-30(39-28)26-15-24(13-21-9-6-7-12-25(21)26)29-35-18(3)32-19(4)36-29/h6-15H,1-5H3.
What are the key properties of 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine?
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine has a molecular weight of 511.59 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine is sourced from PubChem (CID 176843031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).