(2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene

C34H36 — CID 58673500

About (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene

(2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene (PubChem CID 58673500) has the molecular formula C34H36 and a molecular weight of 444.66 g/mol. Its IUPAC name is (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene.

Molecular Properties

• Compound Name: (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene
• PubChem CID: 58673500
• Molecular Formula: C34H36
• Molecular Weight: 444.66 g/mol
• Exact Mass: 444.28
• IUPAC Name: (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene
• SMILES: C=C(CCC)C1=C(C)C=C2C/C(=C/c3ccc4c(c3)CCC4)C(=C)C2C1/C=C/c1ccccc1
• InChI: InChI=1S/C34H36/c1-5-10-23(2)33-24(3)19-31-22-30(21-27-15-17-28-13-9-14-29(28)20-27)25(4)34(31)32(33)18-16-26-11-7-6-8-12-26/h6-8,11-12,15-21,32,34H,2,4-5,9-10,13-14,22H2,1,3H3/b18-16+,30-21-
• InChIKey: ASUBYDLSLJPACD-RJYVKUBQSA-N
• XLogP: 9.08
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.66
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene?

The IUPAC name of (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene (CID 58673500) is (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene.

What is the SMILES notation for (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene?

The canonical SMILES for (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene is C=C(CCC)C1=C(C)C=C2C/C(=C/c3ccc4c(c3)CCC4)C(=C)C2C1/C=C/c1ccccc1.

What is the InChIKey of (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene?

The InChIKey is ASUBYDLSLJPACD-RJYVKUBQSA-N. The full InChI is InChI=1S/C34H36/c1-5-10-23(2)33-24(3)19-31-22-30(21-27-15-17-28-13-9-14-29(28)20-27)25(4)34(31)32(33)18-16-26-11-7-6-8-12-26/h6-8,11-12,15-21,32,34H,2,4-5,9-10,13-14,22H2,1,3H3/b18-16+,30-21-.

What are the key properties of (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene?

(2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene has a molecular weight of 444.66 g/mol, XLogP of 9.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-[(E)-2-phenylethenyl]-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58673500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).