2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane

C30H34 — CID 144939111

IUPAC2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
SMILESC=C/C=C\C1=C(C)c2ccccc2C1(c1ccccc1)c1ccccc1.CC.CC
InChIInChI=1S/C26H22.2C2H6/c1-3-4-18-24-20(2)23-17-11-12-19-25(23)26(24,21-13-7-5-8-14-21)22-15-9-6-10-16-22;2*1-2/h3-19H,1H2,2H3;2*1-2H3/b18-4-;;
InChIKeyMENJWQNYUSTBBQ-USXMXKTCSA-N
MW394.60 g/mol
LogP8.60
Rot. Bonds4

About 2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane

2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane (PubChem CID 144939111) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane.

Molecular Properties

Compound Name2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
PubChem CID144939111
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
SMILESC=C/C=C\C1=C(C)c2ccccc2C1(c1ccccc1)c1ccccc1.CC.CC
InChIInChI=1S/C26H22.2C2H6/c1-3-4-18-24-20(2)23-17-11-12-19-25(23)26(24,21-13-7-5-8-14-21)22-15-9-6-10-16-22;2*1-2/h3-19H,1H2,2H3;2*1-2H3/b18-4-;;
InChIKeyMENJWQNYUSTBBQ-USXMXKTCSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.60
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'-methylspiro[fluorene-9,1'-indene]
CID 154561467
2-ethenyl-3-methyl-1,1-diphenylindene
CID 142104314
2-[(1Z)-buta-1,3-dienyl]-1-methyl-3,3-diphenylindene-5-thiol
CID 170227138
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-(4-ethylphenyl)-3-methyl-1-(4-methylphenyl)-6-phenylindene
CID 144938511
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
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
CID 145229374
CID 145229374
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane?
The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane (CID 144939111) is 2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane.
What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane?
The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane is C=C/C=C\C1=C(C)c2ccccc2C1(c1ccccc1)c1ccccc1.CC.CC.
What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane?
The InChIKey is MENJWQNYUSTBBQ-USXMXKTCSA-N. The full InChI is InChI=1S/C26H22.2C2H6/c1-3-4-18-24-20(2)23-17-11-12-19-25(23)26(24,21-13-7-5-8-14-21)22-15-9-6-10-16-22;2*1-2/h3-19H,1H2,2H3;2*1-2H3/b18-4-;;.
What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane?
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane has a molecular weight of 394.60 g/mol, XLogP of 8.60, 4 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-methyl-1,1-diphenylindene;ethane is sourced from PubChem (CID 144939111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).