4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine

C78H74N6 — CID 163481541

About 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine

4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 163481541) has the molecular formula C78H74N6 and a molecular weight of 1095.49 g/mol. Its IUPAC name is 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
• PubChem CID: 163481541
• Molecular Formula: C78H74N6
• Molecular Weight: 1095.49 g/mol
• Exact Mass: 1094.60
• IUPAC Name: 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
• SMILES: C1=CCCC(c2ccccc2C2=NC(c3ccccc3C3=CC=CCC3)NC(C3C=CCC(c4cccc(-c5cccc(-c6cccc(C7N=C(C8=CC=CCC8C8=CCCCC8)NC(c8ccccc8-c8ccccc8)N7)c6)c5)c4)C3)N2)=C1
• InChI: InChI=1S/C78H74N6/c1-5-25-53(26-6-1)65-41-13-17-45-69(65)75-79-73(80-76(83-75)70-46-18-14-42-66(70)54-27-7-2-8-28-54)63-39-23-37-61(51-63)59-35-21-33-57(49-59)58-34-22-36-60(50-58)62-38-24-40-64(52-62)74-81-77(71-47-19-15-43-67(71)55-29-9-3-10-30-55)84-78(82-74)72-48-20-16-44-68(72)56-31-11-4-12-32-56/h1-3,5,7,9-10,13-25,27,29-31,33-36,38-43,45-50,52,61,63,68,73-75,77,79,81H,4,6,8,11-12,26,28,32,37,44,51H2,(H,80,83)(H,82,84)
• InChIKey: CEYQBRXKHMISTC-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 72.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.49
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine?

The IUPAC name of 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine (CID 163481541) is 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine.

What is the SMILES notation for 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine?

The canonical SMILES for 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine is C1=CCCC(c2ccccc2C2=NC(c3ccccc3C3=CC=CCC3)NC(C3C=CCC(c4cccc(-c5cccc(-c6cccc(C7N=C(C8=CC=CCC8C8=CCCCC8)NC(c8ccccc8-c8ccccc8)N7)c6)c5)c4)C3)N2)=C1.

What is the InChIKey of 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine?

The InChIKey is CEYQBRXKHMISTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H74N6/c1-5-25-53(26-6-1)65-41-13-17-45-69(65)75-79-73(80-76(83-75)70-46-18-14-42-66(70)54-27-7-2-8-28-54)63-39-23-37-61(51-63)59-35-21-33-57(49-59)58-34-22-36-60(50-58)62-38-24-40-64(52-62)74-81-77(71-47-19-15-43-67(71)55-29-9-3-10-30-55)84-78(82-74)72-48-20-16-44-68(72)56-31-11-4-12-32-56/h1-3,5,7,9-10,13-25,27,29-31,33-36,38-43,45-50,52,61,63,68,73-75,77,79,81H,4,6,8,11-12,26,28,32,37,44,51H2,(H,80,83)(H,82,84).

What are the key properties of 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine?

4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 1095.49 g/mol, XLogP of 18.16, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-bis(2-cyclohexa-1,3-dien-1-ylphenyl)-2-[5-[3-[3-[3-[6-[6-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-2-(2-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]cyclohex-2-en-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 163481541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).