(4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene

C22H10Br2S2 — CID 118208418

IUPAC(4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene
SMILESBrc1cc2c(s1)/C(=C1\c3ccccc3-c3cc(Br)sc31)c1ccccc1-2
InChIInChI=1S/C22H10Br2S2/c23-17-9-15-11-5-1-3-7-13(11)19(21(15)25-17)20-14-8-4-2-6-12(14)16-10-18(24)26-22(16)20/h1-10H/b20-19+
InChIKeyXEKONLHXOZUQLH-FMQUCBEESA-N
MW498.26 g/mol
LogP8.30
Rot. Bonds

About (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene

(4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene (PubChem CID 118208418) has the molecular formula C22H10Br2S2 and a molecular weight of 498.26 g/mol. Its IUPAC name is (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene.

Molecular Properties

Compound Name(4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene
PubChem CID118208418
Molecular FormulaC22H10Br2S2
Molecular Weight498.26 g/mol
Exact Mass495.86
IUPAC Name(4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene
SMILESBrc1cc2c(s1)/C(=C1\c3ccccc3-c3cc(Br)sc31)c1ccccc1-2
InChIInChI=1S/C22H10Br2S2/c23-17-9-15-11-5-1-3-7-13(11)19(21(15)25-17)20-14-8-4-2-6-12(14)16-10-18(24)26-22(16)20/h1-10H/b20-19+
InChIKeyXEKONLHXOZUQLH-FMQUCBEESA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.26
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene?
The IUPAC name of (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene (CID 118208418) is (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene.
What is the SMILES notation for (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene?
The canonical SMILES for (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene is Brc1cc2c(s1)/C(=C1\c3ccccc3-c3cc(Br)sc31)c1ccccc1-2.
What is the InChIKey of (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene?
The InChIKey is XEKONLHXOZUQLH-FMQUCBEESA-N. The full InChI is InChI=1S/C22H10Br2S2/c23-17-9-15-11-5-1-3-7-13(11)19(21(15)25-17)20-14-8-4-2-6-12(14)16-10-18(24)26-22(16)20/h1-10H/b20-19+.
What are the key properties of (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene?
(4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene has a molecular weight of 498.26 g/mol, XLogP of 8.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-bromo-4-(2-bromoindeno[2,1-b]thiophen-4-ylidene)indeno[2,1-b]thiophene is sourced from PubChem (CID 118208418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).