6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene

C22H22Br2 — CID 142541274

IUPAC6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene
SMILESCc1cc(Br)c(C)c2c1C(=C1CCc3c(C)c(Br)cc(C)c31)CC2
InChIInChI=1S/C22H22Br2/c1-11-9-19(23)13(3)15-5-7-17(21(11)15)18-8-6-16-14(4)20(24)10-12(2)22(16)18/h9-10H,5-8H2,1-4H3
InChIKeyIHRLPKNYPKFCLU-UHFFFAOYSA-N
MW446.23 g/mol
LogP7.25
Rot. Bonds

About 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene

6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene (PubChem CID 142541274) has the molecular formula C22H22Br2 and a molecular weight of 446.23 g/mol. Its IUPAC name is 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene
PubChem CID142541274
Molecular FormulaC22H22Br2
Molecular Weight446.23 g/mol
Exact Mass444.01
IUPAC Name6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene
SMILESCc1cc(Br)c(C)c2c1C(=C1CCc3c(C)c(Br)cc(C)c31)CC2
InChIInChI=1S/C22H22Br2/c1-11-9-19(23)13(3)15-5-7-17(21(11)15)18-8-6-16-14(4)20(24)10-12(2)22(16)18/h9-10H,5-8H2,1-4H3
InChIKeyIHRLPKNYPKFCLU-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.23
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene?
The IUPAC name of 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene (CID 142541274) is 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene?
The canonical SMILES for 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene is Cc1cc(Br)c(C)c2c1C(=C1CCc3c(C)c(Br)cc(C)c31)CC2.
What is the InChIKey of 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene?
The InChIKey is IHRLPKNYPKFCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Br2/c1-11-9-19(23)13(3)15-5-7-17(21(11)15)18-8-6-16-14(4)20(24)10-12(2)22(16)18/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene?
6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene has a molecular weight of 446.23 g/mol, XLogP of 7.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(5-bromo-4,7-dimethyl-2,3-dihydroinden-1-ylidene)-4,7-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 142541274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).