(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]

C28H28 — CID 144569336

IUPAC(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]
SMILESC=CC1=C(/C=C\C)C2(C(=C/C)/C(=C\CC)c3ccccc32)c2cc(C)ccc21
InChIInChI=1S/C28H28/c1-6-12-21-22-14-10-11-15-26(22)28(24(21)9-4)25(13-7-2)20(8-3)23-17-16-19(5)18-27(23)28/h7-18H,3,6H2,1-2,4-5H3/b13-7-,21-12-,24-9+
InChIKeyJWNGUODMGALQOH-SVFHDYOHSA-N
MW364.53 g/mol
LogP7.56
Rot. Bonds3

About (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]

(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene] (PubChem CID 144569336) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene].

Molecular Properties

Compound Name(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]
PubChem CID144569336
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]
SMILESC=CC1=C(/C=C\C)C2(C(=C/C)/C(=C\CC)c3ccccc32)c2cc(C)ccc21
InChIInChI=1S/C28H28/c1-6-12-21-22-14-10-11-15-26(22)28(24(21)9-4)25(13-7-2)20(8-3)23-17-16-19(5)18-27(23)28/h7-18H,3,6H2,1-2,4-5H3/b13-7-,21-12-,24-9+
InChIKeyJWNGUODMGALQOH-SVFHDYOHSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
2',3'-bis(ethenyl)-2-methylspiro[fluorene-9,1'-indene];ethane;methane
CID 163299187
3'-ethenyl-5-methyl-2'-[(Z)-prop-1-enyl]spiro[hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-25,1'-indene]
CID 145353205
2',3'-bis(ethenyl)-2-(4-methylphenyl)spiro[fluorene-9,1'-indene];methane
CID 143486387
1,2'-bis[(1Z)-buta-1,3-dienyl]-2,3'-bis(ethenyl)-3-methyl-4-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
CID 174069889
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
CID 144810497
CID 58607554
CID 58607554
butane;1,2-dimethyl-3-(2-methylphenyl)benzene;ethane;3'-ethenyl-3-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene];6-methyl-1,2,11,12-tetrahydrotriphenylene;propane
CID 145204048

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]?
The IUPAC name of (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene] (CID 144569336) is (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene].
What is the SMILES notation for (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]?
The canonical SMILES for (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene] is C=CC1=C(/C=C\C)C2(C(=C/C)/C(=C\CC)c3ccccc32)c2cc(C)ccc21.
What is the InChIKey of (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]?
The InChIKey is JWNGUODMGALQOH-SVFHDYOHSA-N. The full InChI is InChI=1S/C28H28/c1-6-12-21-22-14-10-11-15-26(22)28(24(21)9-4)25(13-7-2)20(8-3)23-17-16-19(5)18-27(23)28/h7-18H,3,6H2,1-2,4-5H3/b13-7-,21-12-,24-9+.
What are the key properties of (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]?
(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene] has a molecular weight of 364.53 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene] is sourced from PubChem (CID 144569336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).