5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene

C26H20Br2 — CID 156509289

IUPAC5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene
SMILESC=C(Br)/C=C\C1=C(C)c2cc(Br)ccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20Br2/c1-18(27)13-15-24-19(2)23-17-22(28)14-16-25(23)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1H2,2H3/b15-13-
InChIKeyYDIQKAPTIROERI-SQFISAMPSA-N
MW492.25 g/mol
LogP8.04
Rot. Bonds4

About 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene

5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene (PubChem CID 156509289) has the molecular formula C26H20Br2 and a molecular weight of 492.25 g/mol. Its IUPAC name is 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene.

Molecular Properties

Compound Name5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene
PubChem CID156509289
Molecular FormulaC26H20Br2
Molecular Weight492.25 g/mol
Exact Mass489.99
IUPAC Name5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene
SMILESC=C(Br)/C=C\C1=C(C)c2cc(Br)ccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20Br2/c1-18(27)13-15-24-19(2)23-17-22(28)14-16-25(23)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1H2,2H3/b15-13-
InChIKeyYDIQKAPTIROERI-SQFISAMPSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.25
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene?
The IUPAC name of 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene (CID 156509289) is 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene.
What is the SMILES notation for 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene?
The canonical SMILES for 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene is C=C(Br)/C=C\C1=C(C)c2cc(Br)ccc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene?
The InChIKey is YDIQKAPTIROERI-SQFISAMPSA-N. The full InChI is InChI=1S/C26H20Br2/c1-18(27)13-15-24-19(2)23-17-22(28)14-16-25(23)26(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,1H2,2H3/b15-13-.
What are the key properties of 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene?
5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene has a molecular weight of 492.25 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1Z)-3-bromobuta-1,3-dienyl]-3-methyl-1,1-diphenylindene is sourced from PubChem (CID 156509289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).