2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]

C26H20 — CID 154561467

IUPAC2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]
SMILESC=C/C=C\C1=C(C)c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C26H20/c1-3-4-14-22-18(2)19-11-5-8-15-23(19)26(22)24-16-9-6-12-20(24)21-13-7-10-17-25(21)26/h3-17H,1H2,2H3/b14-4-
InChIKeyMAZVJFWMTAWBAR-CPSFFCFKSA-N
MW332.45 g/mol
LogP6.53
Rot. Bonds2

About 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]

2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene] (PubChem CID 154561467) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene].

Molecular Properties

Compound Name2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]
PubChem CID154561467
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]
SMILESC=C/C=C\C1=C(C)c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C26H20/c1-3-4-14-22-18(2)19-11-5-8-15-23(19)26(22)24-16-9-6-12-20(24)21-13-7-10-17-25(21)26/h3-17H,1H2,2H3/b14-4-
InChIKeyMAZVJFWMTAWBAR-CPSFFCFKSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
CID 144939111
2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844
2-[(1Z)-buta-1,3-dienyl]-1-methyl-3,3-diphenylindene-5-thiol
CID 170227138
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
2-ethenyl-3-methyl-1,1-diphenylindene
CID 142104314
CID 145229374
CID 145229374
3-[3-[3-(3'-methyl-2'-prop-1-enylspiro[fluorene-9,1'-indene]-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 123374086
3'-[(1Z)-buta-1,3-dienyl]-2-iodo-2'-methylspiro[fluorene-9,1'-indene]
CID 89150368
2-[(1Z)-buta-1,3-dienyl]-1-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene
CID 144938511
3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]
CID 123767727
2-[3'-[(1Z)-buta-1,3-dienyl]-2',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-yl]furan
CID 166995728
2'-[(1Z)-buta-1,3-dienyl]-3'-methyl-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-triphenylen-2-ylspiro[fluorene-9,1'-indene]-2-amine
CID 130311376

Frequently Asked Questions

What is the IUPAC name of 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]?
The IUPAC name of 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene] (CID 154561467) is 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene].
What is the SMILES notation for 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]?
The canonical SMILES for 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene] is C=C/C=C\C1=C(C)c2ccccc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]?
The InChIKey is MAZVJFWMTAWBAR-CPSFFCFKSA-N. The full InChI is InChI=1S/C26H20/c1-3-4-14-22-18(2)19-11-5-8-15-23(19)26(22)24-16-9-6-12-20(24)21-13-7-10-17-25(21)26/h3-17H,1H2,2H3/b14-4-.
What are the key properties of 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]?
2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene] has a molecular weight of 332.45 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene] is sourced from PubChem (CID 154561467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).