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

C42H48 — CID 58674107

IUPAC(2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene
SMILESC=C(CCC)C1=C(C)C=C2C/C(=C\C3=CC=C(c4ccc(CC)cc4C(=C)C)C3)C(=C)C2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C42H48/c1-10-12-28(7)40-29(8)21-37-25-36(30(9)41(37)42(40)34-18-16-33(17-19-34)26(3)4)23-32-13-15-35(22-32)38-20-14-31(11-2)24-39(38)27(5)6/h13-21,23-24,26,41-42H,5,7,9-12,22,25H2,1-4,6,8H3/b36-23+
InChIKeyZZZADFDSSJKKQM-GOJREDGKSA-N
MW552.85 g/mol
LogP12.02
Rot. Bonds9

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

(2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene (PubChem CID 58674107) has the molecular formula C42H48 and a molecular weight of 552.85 g/mol. Its IUPAC name is (2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene.

Molecular Properties

Compound Name(2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene
PubChem CID58674107
Molecular FormulaC42H48
Molecular Weight552.85 g/mol
Exact Mass552.38
IUPAC Name(2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene
SMILESC=C(CCC)C1=C(C)C=C2C/C(=C\C3=CC=C(c4ccc(CC)cc4C(=C)C)C3)C(=C)C2C1c1ccc(C(C)C)cc1
InChIInChI=1S/C42H48/c1-10-12-28(7)40-29(8)21-37-25-36(30(9)41(37)42(40)34-18-16-33(17-19-34)26(3)4)23-32-13-15-35(22-32)38-20-14-31(11-2)24-39(38)27(5)6/h13-21,23-24,26,41-42H,5,7,9-12,22,25H2,1-4,6,8H3/b36-23+
InChIKeyZZZADFDSSJKKQM-GOJREDGKSA-N
XLogP12.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.85
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

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alpha-Corocalene
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CID 576378

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene?
The IUPAC name of (2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene (CID 58674107) is (2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene.
What is the SMILES notation for (2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene?
The canonical SMILES for (2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-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(c4ccc(CC)cc4C(=C)C)C3)C(=C)C2C1c1ccc(C(C)C)cc1.
What is the InChIKey of (2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene?
The InChIKey is ZZZADFDSSJKKQM-GOJREDGKSA-N. The full InChI is InChI=1S/C42H48/c1-10-12-28(7)40-29(8)21-37-25-36(30(9)41(37)42(40)34-18-16-33(17-19-34)26(3)4)23-32-13-15-35(22-32)38-20-14-31(11-2)24-39(38)27(5)6/h13-21,23-24,26,41-42H,5,7,9-12,22,25H2,1-4,6,8H3/b36-23+.
What are the key properties of (2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene?
(2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene has a molecular weight of 552.85 g/mol, XLogP of 12.02, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-(4-ethyl-2-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]methylidene]-6-methyl-3-methylidene-5-pent-1-en-2-yl-4-(4-propan-2-ylphenyl)-3a,4-dihydro-1H-indene is sourced from PubChem (CID 58674107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).