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

C41H40 — CID 58673772

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

(2E)-6-methyl-3-methylidene-2-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene (PubChem CID 58673772) has the molecular formula C41H40 and a molecular weight of 532.77 g/mol. Its IUPAC name is (2E)-6-methyl-3-methylidene-2-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene.

Molecular Properties

• Compound Name: (2E)-6-methyl-3-methylidene-2-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene
• PubChem CID: 58673772
• Molecular Formula: C41H40
• Molecular Weight: 532.77 g/mol
• Exact Mass: 532.31
• IUPAC Name: (2E)-6-methyl-3-methylidene-2-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene
• SMILES: C=C(CCC)C1=C(C)C=C2C/C(=C\C3=CC(c4ccccc4)C=C3c3ccc(C)cc3)C(=C)C2C1c1ccccc1
• InChI: InChI=1S/C41H40/c1-6-13-28(3)39-29(4)22-37-24-34(30(5)40(37)41(39)33-16-11-8-12-17-33)23-36-25-35(31-14-9-7-10-15-31)26-38(36)32-20-18-27(2)19-21-32/h7-12,14-23,25-26,35,40-41H,3,5-6,13,24H2,1-2,4H3/b34-23+
• InChIKey: JSEPNNSAIIKYIS-PPFNPFNJSA-N
• XLogP: 11.00
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.77
LogP ≤ 5	11.00
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-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene?

The IUPAC name of (2E)-6-methyl-3-methylidene-2-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene (CID 58673772) is (2E)-6-methyl-3-methylidene-2-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene.

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

The canonical SMILES for (2E)-6-methyl-3-methylidene-2-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene is C=C(CCC)C1=C(C)C=C2C/C(=C\C3=CC(c4ccccc4)C=C3c3ccc(C)cc3)C(=C)C2C1c1ccccc1.

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

The InChIKey is JSEPNNSAIIKYIS-PPFNPFNJSA-N. The full InChI is InChI=1S/C41H40/c1-6-13-28(3)39-29(4)22-37-24-34(30(5)40(37)41(39)33-16-11-8-12-17-33)23-36-25-35(31-14-9-7-10-15-31)26-38(36)32-20-18-27(2)19-21-32/h7-12,14-23,25-26,35,40-41H,3,5-6,13,24H2,1-2,4H3/b34-23+.

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

(2E)-6-methyl-3-methylidene-2-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene has a molecular weight of 532.77 g/mol, XLogP of 11.00, 7 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-[[5-(4-methylphenyl)-3-phenylcyclopenta-1,4-dien-1-yl]methylidene]-5-pent-1-en-2-yl-4-phenyl-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58673772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).