2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

C60H78N6 — CID 176533338

About 2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 176533338) has the molecular formula C60H78N6 and a molecular weight of 883.33 g/mol. Its IUPAC name is 2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
• PubChem CID: 176533338
• Molecular Formula: C60H78N6
• Molecular Weight: 883.33 g/mol
• Exact Mass: 882.63
• IUPAC Name: 2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
• SMILES: C1=CC(C2N=C(C3=CCCCC3)NC(C3CCCC(C4=CC(C5C=C(C6NC(C7=CCCC(C8CC=CCC8)=C7)=NC(C7CC=CCC7)N6)C=C(C6CC=CCC6)C5)CC=C4)C3)N2)=CCC1
• InChI: InChI=1S/C60H78N6/c1-6-19-41(20-7-1)46-29-17-33-50(36-46)59-64-57(45-27-14-5-15-28-45)65-60(66-59)54-39-52(42-21-8-2-9-22-42)38-53(40-54)49-32-16-30-47(35-49)48-31-18-34-51(37-48)58-62-55(43-23-10-3-11-24-43)61-56(63-58)44-25-12-4-13-26-44/h1-2,5-6,8,10,14,16,23-25,30,33,35-36,39-42,45,48-49,51,53,55,57-58,60,62,65H,3-4,7,9,11-13,15,17-22,26-29,31-32,34,37-38H2,(H,61,63)(H,64,66)
• InChIKey: DBKJPILANBSPHM-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 72.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.33
LogP ≤ 5	13.15
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 2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?

The IUPAC name of 2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 176533338) is 2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.

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

The canonical SMILES for 2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is C1=CC(C2N=C(C3=CCCCC3)NC(C3CCCC(C4=CC(C5C=C(C6NC(C7=CCCC(C8CC=CCC8)=C7)=NC(C7CC=CCC7)N6)C=C(C6CC=CCC6)C5)CC=C4)C3)N2)=CCC1.

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

The InChIKey is DBKJPILANBSPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H78N6/c1-6-19-41(20-7-1)46-29-17-33-50(36-46)59-64-57(45-27-14-5-15-28-45)65-60(66-59)54-39-52(42-21-8-2-9-22-42)38-53(40-54)49-32-16-30-47(35-49)48-31-18-34-51(37-48)58-62-55(43-23-10-3-11-24-43)61-56(63-58)44-25-12-4-13-26-44/h1-2,5-6,8,10,14,16,23-25,30,33,35-36,39-42,45,48-49,51,53,55,57-58,60,62,65H,3-4,7,9,11-13,15,17-22,26-29,31-32,34,37-38H2,(H,61,63)(H,64,66).

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

2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 883.33 g/mol, XLogP of 13.15, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3-[4-cyclohexa-1,5-dien-1-yl-6-(cyclohexen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohexyl]cyclohexa-2,4-dien-1-yl]-5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl]-4-cyclohex-3-en-1-yl-6-(5-cyclohex-3-en-1-ylcyclohexa-1,5-dien-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 176533338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).