2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C68H52N6 — CID 164991376

About 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 164991376) has the molecular formula C68H52N6 and a molecular weight of 953.21 g/mol. Its IUPAC name is 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 164991376
• Molecular Formula: C68H52N6
• Molecular Weight: 953.21 g/mol
• Exact Mass: 952.43
• IUPAC Name: 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: CC1C=CC=CC1C1N=C(c2ccccc2)N=C(c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6)c5)c4)c3)c2)N1C
• InChI: InChI=1S/C68H52N6/c1-46-20-12-13-39-62(46)68-73-64(49-25-10-5-11-26-49)72-67(74(68)2)61-38-19-35-58(45-61)56-33-16-31-54(42-56)52-29-14-28-51(40-52)53-30-15-32-55(41-53)57-34-18-37-60(44-57)66-70-63(48-23-8-4-9-24-48)69-65(71-66)59-36-17-27-50(43-59)47-21-6-3-7-22-47/h3-46,62,68H,1-2H3
• InChIKey: GXDXGZHHXBQUBZ-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 66.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.21
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 164991376) is 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1C=CC=CC1C1N=C(c2ccccc2)N=C(c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6)c5)c4)c3)c2)N1C.

What is the InChIKey of 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is GXDXGZHHXBQUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N6/c1-46-20-12-13-39-62(46)68-73-64(49-25-10-5-11-26-49)72-67(74(68)2)61-38-19-35-58(45-61)56-33-16-31-54(42-56)52-29-14-28-51(40-52)53-30-15-32-55(41-53)57-34-18-37-60(44-57)66-70-63(48-23-8-4-9-24-48)69-65(71-66)59-36-17-27-50(43-59)47-21-6-3-7-22-47/h3-46,62,68H,1-2H3.

What are the key properties of 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 953.21 g/mol, XLogP of 16.05, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164991376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).