1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene

C36H42 — CID 58759055

About 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene

1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene (PubChem CID 58759055) has the molecular formula C36H42 and a molecular weight of 474.73 g/mol. Its IUPAC name is 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene.

Molecular Properties

• Compound Name: 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
• PubChem CID: 58759055
• Molecular Formula: C36H42
• Molecular Weight: 474.73 g/mol
• Exact Mass: 474.33
• IUPAC Name: 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
• SMILES: C=C(C)c1cccc(C(=C)CC(C)(C)c2cccc(C(=C)CC(C)(C)c3cccc(C(=C)C)c3)c2)c1
• InChI: InChI=1S/C36H42/c1-25(2)29-14-11-16-31(20-29)27(5)23-36(9,10)34-19-13-17-32(22-34)28(6)24-35(7,8)33-18-12-15-30(21-33)26(3)4/h11-22H,1,3,5-6,23-24H2,2,4,7-10H3
• InChIKey: KMOHAHODUVEUNV-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.73
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene?

The IUPAC name of 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene (CID 58759055) is 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene.

What is the SMILES notation for 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene?

The canonical SMILES for 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(C(=C)CC(C)(C)c2cccc(C(=C)CC(C)(C)c3cccc(C(=C)C)c3)c2)c1.

What is the InChIKey of 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene?

The InChIKey is KMOHAHODUVEUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42/c1-25(2)29-14-11-16-31(20-29)27(5)23-36(9,10)34-19-13-17-32(22-34)28(6)24-35(7,8)33-18-12-15-30(21-33)26(3)4/h11-22H,1,3,5-6,23-24H2,2,4,7-10H3.

What are the key properties of 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene?

1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene has a molecular weight of 474.73 g/mol, XLogP of 10.52, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 58759055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).