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

C40H44 — CID 58673841

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

(2E)-6-methyl-3-methylidene-4-(4-methylphenyl)-5-pent-1-en-2-yl-2-[[4-(3-pent-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene (PubChem CID 58673841) has the molecular formula C40H44 and a molecular weight of 524.79 g/mol. Its IUPAC name is (2E)-6-methyl-3-methylidene-4-(4-methylphenyl)-5-pent-1-en-2-yl-2-[[4-(3-pent-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene.

Molecular Properties

• Compound Name: (2E)-6-methyl-3-methylidene-4-(4-methylphenyl)-5-pent-1-en-2-yl-2-[[4-(3-pent-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene
• PubChem CID: 58673841
• Molecular Formula: C40H44
• Molecular Weight: 524.79 g/mol
• Exact Mass: 524.34
• IUPAC Name: (2E)-6-methyl-3-methylidene-4-(4-methylphenyl)-5-pent-1-en-2-yl-2-[[4-(3-pent-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(c4cccc(C(=C)CCC)c4)C3)C(=C)C2C1c1ccc(C)cc1
• InChI: InChI=1S/C40H44/c1-8-11-27(4)33-13-10-14-34(24-33)35-20-17-31(22-35)23-36-25-37-21-29(6)38(28(5)12-9-2)40(39(37)30(36)7)32-18-15-26(3)16-19-32/h10,13-21,23-24,39-40H,4-5,7-9,11-12,22,25H2,1-3,6H3/b36-23+
• InChIKey: XVOZADPRSIBOOH-GOJREDGKSA-N
• XLogP: 11.42
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.79
LogP ≤ 5	11.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of (2E)-6-methyl-3-methylidene-4-(4-methylphenyl)-5-pent-1-en-2-yl-2-[[4-(3-pent-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene (CID 58673841) is (2E)-6-methyl-3-methylidene-4-(4-methylphenyl)-5-pent-1-en-2-yl-2-[[4-(3-pent-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene.

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

The canonical SMILES for (2E)-6-methyl-3-methylidene-4-(4-methylphenyl)-5-pent-1-en-2-yl-2-[[4-(3-pent-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(c4cccc(C(=C)CCC)c4)C3)C(=C)C2C1c1ccc(C)cc1.

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

The InChIKey is XVOZADPRSIBOOH-GOJREDGKSA-N. The full InChI is InChI=1S/C40H44/c1-8-11-27(4)33-13-10-14-34(24-33)35-20-17-31(22-35)23-36-25-37-21-29(6)38(28(5)12-9-2)40(39(37)30(36)7)32-18-15-26(3)16-19-32/h10,13-21,23-24,39-40H,4-5,7-9,11-12,22,25H2,1-3,6H3/b36-23+.

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

(2E)-6-methyl-3-methylidene-4-(4-methylphenyl)-5-pent-1-en-2-yl-2-[[4-(3-pent-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene has a molecular weight of 524.79 g/mol, XLogP of 11.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-6-methyl-3-methylidene-4-(4-methylphenyl)-5-pent-1-en-2-yl-2-[[4-(3-pent-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58673841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).