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

C41H46 — CID 58673212

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

(2E)-6-methyl-3-methylidene-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene (PubChem CID 58673212) has the molecular formula C41H46 and a molecular weight of 538.82 g/mol. Its IUPAC name is (2E)-6-methyl-3-methylidene-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene.

Molecular Properties

• Compound Name: (2E)-6-methyl-3-methylidene-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene
• PubChem CID: 58673212
• Molecular Formula: C41H46
• Molecular Weight: 538.82 g/mol
• Exact Mass: 538.36
• IUPAC Name: (2E)-6-methyl-3-methylidene-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene
• SMILES: C=C(CCC)C1=C(C)C=C2C/C(=C\C3=CC=C(c4cc(C(=C)C)ccc4C)C3)C(=C)C2C1c1ccc(C(C)C)cc1
• InChI: InChI=1S/C41H46/c1-10-11-28(7)39-29(8)20-37-23-36(30(9)40(37)41(39)33-18-16-32(17-19-33)25(2)3)22-31-13-15-35(21-31)38-24-34(26(4)5)14-12-27(38)6/h12-20,22,24-25,40-41H,4,7,9-11,21,23H2,1-3,5-6,8H3/b36-22+
• InChIKey: BPYYQSATMVJKEU-HPNXWYHWSA-N
• XLogP: 11.76
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.82
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of (2E)-6-methyl-3-methylidene-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene (CID 58673212) is (2E)-6-methyl-3-methylidene-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene.

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

The canonical SMILES for (2E)-6-methyl-3-methylidene-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene is C=C(CCC)C1=C(C)C=C2C/C(=C\C3=CC=C(c4cc(C(=C)C)ccc4C)C3)C(=C)C2C1c1ccc(C(C)C)cc1.

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

The InChIKey is BPYYQSATMVJKEU-HPNXWYHWSA-N. The full InChI is InChI=1S/C41H46/c1-10-11-28(7)39-29(8)20-37-23-36(30(9)40(37)41(39)33-18-16-32(17-19-33)25(2)3)22-31-13-15-35(21-31)38-24-34(26(4)5)14-12-27(38)6/h12-20,22,24-25,40-41H,4,7,9-11,21,23H2,1-3,5-6,8H3/b36-22+.

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

(2E)-6-methyl-3-methylidene-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene has a molecular weight of 538.82 g/mol, XLogP of 11.76, 8 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-2-[[4-(2-methyl-5-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58673212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).