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

C41H46 — CID 58674153

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

(2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene (PubChem CID 58674153) has the molecular formula C41H46 and a molecular weight of 538.82 g/mol. Its IUPAC name is (2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene.

Molecular Properties

• Compound Name: (2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene
• PubChem CID: 58674153
• Molecular Formula: C41H46
• Molecular Weight: 538.82 g/mol
• Exact Mass: 538.36
• IUPAC Name: (2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene
• SMILES: C=C(CCC)C1=C(C)C=C2C/C(=C\C3=CC=C(c4ccccc4C(=C)C)C3)C(=C)C2C1c1ccc(CC)c(CC)c1
• InChI: InChI=1S/C41H46/c1-9-14-27(6)39-28(7)21-36-25-35(23-30-17-18-33(22-30)38-16-13-12-15-37(38)26(4)5)29(8)40(36)41(39)34-20-19-31(10-2)32(11-3)24-34/h12-13,15-21,23-24,40-41H,4,6,8-11,14,22,25H2,1-3,5,7H3/b35-23+
• InChIKey: MQYIWCAANBDAII-QCFMCPCVSA-N
• XLogP: 11.46
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.82
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of (2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene (CID 58674153) is (2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene.

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

The canonical SMILES for (2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene is C=C(CCC)C1=C(C)C=C2C/C(=C\C3=CC=C(c4ccccc4C(=C)C)C3)C(=C)C2C1c1ccc(CC)c(CC)c1.

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

The InChIKey is MQYIWCAANBDAII-QCFMCPCVSA-N. The full InChI is InChI=1S/C41H46/c1-9-14-27(6)39-28(7)21-36-25-35(23-30-17-18-33(22-30)38-16-13-12-15-37(38)26(4)5)29(8)40(36)41(39)34-20-19-31(10-2)32(11-3)24-34/h12-13,15-21,23-24,40-41H,4,6,8-11,14,22,25H2,1-3,5,7H3/b35-23+.

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

(2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene has a molecular weight of 538.82 g/mol, XLogP of 11.46, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-4-(3,4-diethylphenyl)-6-methyl-3-methylidene-5-pent-1-en-2-yl-2-[[4-(2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58674153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).