(2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole

C18H12S4 — CID 6154623

IUPAC(2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole
SMILESC1=C(c2ccccc2)S/C(=C2\SC=C(c3ccccc3)S2)S1
InChIInChI=1S/C18H12S4/c1-3-7-13(8-4-1)15-11-19-17(21-15)18-20-12-16(22-18)14-9-5-2-6-10-14/h1-12H/b18-17+
InChIKeyUXYULNILNJCKTO-ISLYRVAYSA-N
MW356.56 g/mol
LogP7.07
Rot. Bonds2

About (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole

(2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole (PubChem CID 6154623) has the molecular formula C18H12S4 and a molecular weight of 356.56 g/mol. Its IUPAC name is (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole.

Molecular Properties

Compound Name(2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole
PubChem CID6154623
Molecular FormulaC18H12S4
Molecular Weight356.56 g/mol
Exact Mass355.98
IUPAC Name(2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole
SMILESC1=C(c2ccccc2)S/C(=C2\SC=C(c3ccccc3)S2)S1
InChIInChI=1S/C18H12S4/c1-3-7-13(8-4-1)15-11-19-17(21-15)18-20-12-16(22-18)14-9-5-2-6-10-14/h1-12H/b18-17+
InChIKeyUXYULNILNJCKTO-ISLYRVAYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole?
The IUPAC name of (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole (CID 6154623) is (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole.
What is the SMILES notation for (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole?
The canonical SMILES for (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole is C1=C(c2ccccc2)S/C(=C2\SC=C(c3ccccc3)S2)S1.
What is the InChIKey of (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole?
The InChIKey is UXYULNILNJCKTO-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H12S4/c1-3-7-13(8-4-1)15-11-19-17(21-15)18-20-12-16(22-18)14-9-5-2-6-10-14/h1-12H/b18-17+.
What are the key properties of (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole?
(2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole has a molecular weight of 356.56 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-phenyl-2-(4-phenyl-1,3-dithiol-2-ylidene)-1,3-dithiole is sourced from PubChem (CID 6154623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).