2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole

C26H14S8 — CID 15424536

About 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole

2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole (PubChem CID 15424536) has the molecular formula C26H14S8 and a molecular weight of 582.93 g/mol. Its IUPAC name is 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole.

Molecular Properties

• Compound Name: 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole
• PubChem CID: 15424536
• Molecular Formula: C26H14S8
• Molecular Weight: 582.93 g/mol
• Exact Mass: 581.89
• IUPAC Name: 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole
• SMILES: C1=CSC(=C2SC=C(C(C3=CSC(=C4SC=CS4)S3)=C3c4ccccc4-c4ccccc43)S2)S1
• InChI: InChI=1S/C26H14S8/c1-3-7-17-15(5-1)16-6-2-4-8-18(16)21(17)22(19-13-31-25(33-19)23-27-9-10-28-23)20-14-32-26(34-20)24-29-11-12-30-24/h1-14H
• InChIKey: XNZBKOLKXNAVMM-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.93
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole?

The IUPAC name of 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole (CID 15424536) is 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole.

What is the SMILES notation for 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole?

The canonical SMILES for 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole is C1=CSC(=C2SC=C(C(C3=CSC(=C4SC=CS4)S3)=C3c4ccccc4-c4ccccc43)S2)S1.

What is the InChIKey of 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole?

The InChIKey is XNZBKOLKXNAVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14S8/c1-3-7-17-15(5-1)16-6-2-4-8-18(16)21(17)22(19-13-31-25(33-19)23-27-9-10-28-23)20-14-32-26(34-20)24-29-11-12-30-24/h1-14H.

What are the key properties of 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole?

2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole has a molecular weight of 582.93 g/mol, XLogP of 11.27, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dithiol-2-ylidene)-4-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-fluoren-9-ylidenemethyl]-1,3-dithiole is sourced from PubChem (CID 15424536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).