(2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene

C42H46 — CID 58673628

About (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene

(2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene (PubChem CID 58673628) has the molecular formula C42H46 and a molecular weight of 550.83 g/mol. Its IUPAC name is (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene.

Molecular Properties

• Compound Name: (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene
• PubChem CID: 58673628
• Molecular Formula: C42H46
• Molecular Weight: 550.83 g/mol
• Exact Mass: 550.36
• IUPAC Name: (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene
• SMILES: C=C(CCC)C1=C(C)C=C2C/C(=C\c3ccc(CCc4ccc(C(=C)C)cc4)cc3)C(=C)C2C1c1ccc(CC)cc1
• InChI: InChI=1S/C42H46/c1-8-10-29(5)40-30(6)25-39-27-38(31(7)41(39)42(40)37-23-17-32(9-2)18-24-37)26-35-15-13-33(14-16-35)11-12-34-19-21-36(22-20-34)28(3)4/h13-26,41-42H,3,5,7-12,27H2,1-2,4,6H3/b38-26+
• InChIKey: VZBVDKHCXXTDHO-DZTJYMNTSA-N
• XLogP: 11.42
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.83
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene?

The IUPAC name of (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene (CID 58673628) is (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene.

What is the SMILES notation for (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene?

The canonical SMILES for (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene is C=C(CCC)C1=C(C)C=C2C/C(=C\c3ccc(CCc4ccc(C(=C)C)cc4)cc3)C(=C)C2C1c1ccc(CC)cc1.

What is the InChIKey of (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene?

The InChIKey is VZBVDKHCXXTDHO-DZTJYMNTSA-N. The full InChI is InChI=1S/C42H46/c1-8-10-29(5)40-30(6)25-39-27-38(31(7)41(39)42(40)37-23-17-32(9-2)18-24-37)26-35-15-13-33(14-16-35)11-12-34-19-21-36(22-20-34)28(3)4/h13-26,41-42H,3,5,7-12,27H2,1-2,4,6H3/b38-26+.

What are the key properties of (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene?

(2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene has a molecular weight of 550.83 g/mol, XLogP of 11.42, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-4-(4-ethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]methylidene]-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58673628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).