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]

C29H28 — CID 174069889

IUPAC1,2'-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]
SMILESC=C/C=C\C1=C(C=C)C(C)=C(/C=C\C)C12C(/C=C\C=C)=C(C=C)c1ccccc12
InChIInChI=1S/C29H28/c1-7-12-18-26-22(10-4)21(6)25(16-9-3)29(26)27(19-13-8-2)23(11-5)24-17-14-15-20-28(24)29/h7-20H,1-2,4-5H2,3,6H3/b16-9-,18-12-,19-13-
InChIKeyYNGFGVWOVUDDQB-DKRITTAISA-N
MW376.54 g/mol
LogP7.75
Rot. Bonds7

About 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]

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] (PubChem CID 174069889) has the molecular formula C29H28 and a molecular weight of 376.54 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name1,2'-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]
PubChem CID174069889
Molecular FormulaC29H28
Molecular Weight376.54 g/mol
Exact Mass376.22
IUPAC Name1,2'-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]
SMILESC=C/C=C\C1=C(C=C)C(C)=C(/C=C\C)C12C(/C=C\C=C)=C(C=C)c1ccccc12
InChIInChI=1S/C29H28/c1-7-12-18-26-22(10-4)21(6)25(16-9-3)29(26)27(19-13-8-2)23(11-5)24-17-14-15-20-28(24)29/h7-20H,1-2,4-5H2,3,6H3/b16-9-,18-12-,19-13-
InChIKeyYNGFGVWOVUDDQB-DKRITTAISA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 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] with MolForge

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Related Compounds

3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844
3'-ethenyl-2-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]
CID 144911605
2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]
CID 154561467
2',3,3'-tris(ethenyl)-5-methyl-2-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145301502
acetylene;1-ethenyl-2,3-dimethyl-4-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,9'-fluorene];methane;prop-1-ene
CID 145096318
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
CID 144939111
3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene
CID 143139449
3'-ethenyl-2'-[(Z)-prop-1-enyl]spiro[cyclopentane-1,1'-indene]
CID 143984015
(2E,3Z)-3'-ethenyl-2-ethylidene-6'-methyl-2'-[(Z)-prop-1-enyl]-3-propylidene-1,1'-spirobi[indene]
CID 144569336
ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 145331751
2',3'-bis(ethenyl)-2-methylspiro[fluorene-9,1'-indene];ethane;methane
CID 163299187

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is C=C/C=C\C1=C(C=C)C(C)=C(/C=C\C)C12C(/C=C\C=C)=C(C=C)c1ccccc12.
What is the InChIKey of 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]?
The InChIKey is YNGFGVWOVUDDQB-DKRITTAISA-N. The full InChI is InChI=1S/C29H28/c1-7-12-18-26-22(10-4)21(6)25(16-9-3)29(26)27(19-13-8-2)23(11-5)24-17-14-15-20-28(24)29/h7-20H,1-2,4-5H2,3,6H3/b16-9-,18-12-,19-13-.
What are the key properties of 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]?
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] has a molecular weight of 376.54 g/mol, XLogP of 7.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 174069889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).