2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

C32H36 — CID 123256945

About 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene

2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (PubChem CID 123256945) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.

Molecular Properties

• Compound Name: 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
• PubChem CID: 123256945
• Molecular Formula: C32H36
• Molecular Weight: 420.64 g/mol
• Exact Mass: 420.28
• IUPAC Name: 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
• SMILES: CC1=CC(C2=CCCC(C3=CC(C4=CCCC=C4)=C(C)C(C4C=CC=CC4)C3)=C2)=CCC1
• InChI: InChI=1S/C32H36/c1-23-11-9-16-27(19-23)28-17-10-18-29(20-28)30-21-31(25-12-5-3-6-13-25)24(2)32(22-30)26-14-7-4-8-15-26/h3,5-7,12,14-17,19-20,22,25,31H,4,8-11,13,18,21H2,1-2H3
• InChIKey: ZFQNVPYHMNXCOO-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.64
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?

The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene (CID 123256945) is 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene.

What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?

The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is CC1=CC(C2=CCCC(C3=CC(C4=CCCC=C4)=C(C)C(C4C=CC=CC4)C3)=C2)=CCC1.

What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?

The InChIKey is ZFQNVPYHMNXCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36/c1-23-11-9-16-27(19-23)28-17-10-18-29(20-28)30-21-31(25-12-5-3-6-13-25)24(2)32(22-30)26-14-7-4-8-15-26/h3,5-7,12,14-17,19-20,22,25,31H,4,8-11,13,18,21H2,1-2H3.

What are the key properties of 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene?

2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene has a molecular weight of 420.64 g/mol, XLogP of 8.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 123256945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).