2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine

C26H22S8 — CID 101011109

IUPAC2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine
SMILESCc1ccccc1C(=C1SC2=C(SCCS2)S1)C(=C1SC2=C(SCCS2)S1)c1ccccc1C
InChIInChI=1S/C26H22S8/c1-15-7-3-5-9-17(15)19(21-31-23-24(32-21)28-12-11-27-23)20(18-10-6-4-8-16(18)2)22-33-25-26(34-22)30-14-13-29-25/h3-10H,11-14H2,1-2H3
InChIKeyRGJRKXXQGMOTJO-UHFFFAOYSA-N
MW591.00 g/mol
LogP10.51
Rot. Bonds3

About 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine

2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine (PubChem CID 101011109) has the molecular formula C26H22S8 and a molecular weight of 591.00 g/mol. Its IUPAC name is 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine.

Molecular Properties

Compound Name2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine
PubChem CID101011109
Molecular FormulaC26H22S8
Molecular Weight591.00 g/mol
Exact Mass589.95
IUPAC Name2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine
SMILESCc1ccccc1C(=C1SC2=C(SCCS2)S1)C(=C1SC2=C(SCCS2)S1)c1ccccc1C
InChIInChI=1S/C26H22S8/c1-15-7-3-5-9-17(15)19(21-31-23-24(32-21)28-12-11-27-23)20(18-10-6-4-8-16(18)2)22-33-25-26(34-22)30-14-13-29-25/h3-10H,11-14H2,1-2H3
InChIKeyRGJRKXXQGMOTJO-UHFFFAOYSA-N
XLogP10.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.00
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine?
The IUPAC name of 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine (CID 101011109) is 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine.
What is the SMILES notation for 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine?
The canonical SMILES for 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine is Cc1ccccc1C(=C1SC2=C(SCCS2)S1)C(=C1SC2=C(SCCS2)S1)c1ccccc1C.
What is the InChIKey of 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine?
The InChIKey is RGJRKXXQGMOTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22S8/c1-15-7-3-5-9-17(15)19(21-31-23-24(32-21)28-12-11-27-23)20(18-10-6-4-8-16(18)2)22-33-25-26(34-22)30-14-13-29-25/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine?
2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine has a molecular weight of 591.00 g/mol, XLogP of 10.51, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,2-bis(2-methylphenyl)ethylidene]-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine is sourced from PubChem (CID 101011109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).