6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine

C50H60N4 — CID 176523055

About 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine

6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine (PubChem CID 176523055) has the molecular formula C50H60N4 and a molecular weight of 717.06 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine
• PubChem CID: 176523055
• Molecular Formula: C50H60N4
• Molecular Weight: 717.06 g/mol
• Exact Mass: 716.48
• IUPAC Name: 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine
• SMILES: C1=CCCC(C2=C(C3=CC(C4CC=C(C5C=CCCC5)NC4C4CC=CCC4)CC(C4=NC(C5C=CCCC5)NC(C5=CCCC=C5)=N4)=C3)C=CCC2)=C1
• InChI: InChI=1S/C50H60N4/c1-6-18-35(19-7-1)43-28-16-17-29-44(43)40-32-41(45-30-31-46(36-20-8-2-9-21-36)51-47(45)37-22-10-3-11-23-37)34-42(33-40)50-53-48(38-24-12-4-13-25-38)52-49(54-50)39-26-14-5-15-27-39/h1,3,6,8,10,12,14,17-18,20,24-26,29,31-33,36-37,39,41,45,47,49,51H,2,4-5,7,9,11,13,15-16,19,21-23,27-28,30,34H2,(H,52,53,54)
• InChIKey: XEILFEXAZPAEHK-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 48.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.06
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine?

The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine (CID 176523055) is 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine.

What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine?

The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine is C1=CCCC(C2=C(C3=CC(C4CC=C(C5C=CCCC5)NC4C4CC=CCC4)CC(C4=NC(C5C=CCCC5)NC(C5=CCCC=C5)=N4)=C3)C=CCC2)=C1.

What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine?

The InChIKey is XEILFEXAZPAEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H60N4/c1-6-18-35(19-7-1)43-28-16-17-29-44(43)40-32-41(45-30-31-46(36-20-8-2-9-21-36)51-47(45)37-22-10-3-11-23-37)34-42(33-40)50-53-48(38-24-12-4-13-25-38)52-49(54-50)39-26-14-5-15-27-39/h1,3,6,8,10,12,14,17-18,20,24-26,29,31-33,36-37,39,41,45,47,49,51H,2,4-5,7,9,11,13,15-16,19,21-23,27-28,30,34H2,(H,52,53,54).

What are the key properties of 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine?

6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine has a molecular weight of 717.06 g/mol, XLogP of 11.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclohexa-1,5-dien-1-yl-4-[3-(2-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-5-(6-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-1,2,3,4-tetrahydropyridin-3-yl)cyclohexa-1,3-dien-1-yl]-2-cyclohex-2-en-1-yl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 176523055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).