2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine

C49H43N3 — CID 174316282

About 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine

2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 174316282) has the molecular formula C49H43N3 and a molecular weight of 673.90 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 174316282
• Molecular Formula: C49H43N3
• Molecular Weight: 673.90 g/mol
• Exact Mass: 673.35
• IUPAC Name: 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
• SMILES: Cc1ccccc1-c1c(-c2ccccc2-c2ccccc2-c2cccc(-c3nc(C4=CCCC=C4)nc(C4=CC=CCC4)n3)c2)cccc1C(C)C
• InChI: InChI=1S/C49H43N3/c1-33(2)39-30-17-31-45(46(39)40-25-11-10-18-34(40)3)44-29-15-14-28-43(44)42-27-13-12-26-41(42)37-23-16-24-38(32-37)49-51-47(35-19-6-4-7-20-35)50-48(52-49)36-21-8-5-9-22-36/h4,6,8,10-19,21-33H,5,7,9,20H2,1-3H3
• InChIKey: YQJFJDWJCOAWKN-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.90
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine (CID 174316282) is 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine is Cc1ccccc1-c1c(-c2ccccc2-c2ccccc2-c2cccc(-c3nc(C4=CCCC=C4)nc(C4=CC=CCC4)n3)c2)cccc1C(C)C.

What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine?

The InChIKey is YQJFJDWJCOAWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N3/c1-33(2)39-30-17-31-45(46(39)40-25-11-10-18-34(40)3)44-29-15-14-28-43(44)42-27-13-12-26-41(42)37-23-16-24-38(32-37)49-51-47(35-19-6-4-7-20-35)50-48(52-49)36-21-8-5-9-22-36/h4,6,8,10-19,21-33H,5,7,9,20H2,1-3H3.

What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine?

2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 673.90 g/mol, XLogP of 13.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 174316282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).