2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole

C34H24S6 — CID 102525818

IUPAC2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole
SMILESC1=CSC(=C2SC(SCc3ccc4c(c3)Cc3ccccc3-4)=C(SCc3ccc4c(c3)Cc3ccccc3-4)S2)S1
InChIInChI=1S/C34H24S6/c1-3-7-27-23(5-1)17-25-15-21(9-11-29(25)27)19-37-32-33(40-34(39-32)31-35-13-14-36-31)38-20-22-10-12-30-26(16-22)18-24-6-2-4-8-28(24)30/h1-16H,17-20H2
InChIKeyOUNCQYZGRYRYHX-UHFFFAOYSA-N
MW624.97 g/mol
LogP11.68
Rot. Bonds6

About 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole

2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole (PubChem CID 102525818) has the molecular formula C34H24S6 and a molecular weight of 624.97 g/mol. Its IUPAC name is 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole.

Molecular Properties

Compound Name2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole
PubChem CID102525818
Molecular FormulaC34H24S6
Molecular Weight624.97 g/mol
Exact Mass624.02
IUPAC Name2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole
SMILESC1=CSC(=C2SC(SCc3ccc4c(c3)Cc3ccccc3-4)=C(SCc3ccc4c(c3)Cc3ccccc3-4)S2)S1
InChIInChI=1S/C34H24S6/c1-3-7-27-23(5-1)17-25-15-21(9-11-29(25)27)19-37-32-33(40-34(39-32)31-35-13-14-36-31)38-20-22-10-12-30-26(16-22)18-24-6-2-4-8-28(24)30/h1-16H,17-20H2
InChIKeyOUNCQYZGRYRYHX-UHFFFAOYSA-N
XLogP11.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.97
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole with MolForge

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Related Compounds

2-(fluoromethyl)-9H-fluorene
CID 126607350
9H-fluoren-2-ylmethyl(trimethyl)silane
CID 132540419
N-(9H-fluoren-2-ylmethyl)methanimine
CID 142569253
2-(1,3-dithiol-2-ylidene)-4-[[3-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3-dithiole
CID 10076839
2-[(3,5-diethylphenyl)methyl]-9H-fluorene
CID 167699473
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
3-benzyl-9H-fluorene
CID 57310019
9H-fluorene;oxophosphane
CID 174601741
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole?
The IUPAC name of 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole (CID 102525818) is 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole.
What is the SMILES notation for 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole?
The canonical SMILES for 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole is C1=CSC(=C2SC(SCc3ccc4c(c3)Cc3ccccc3-4)=C(SCc3ccc4c(c3)Cc3ccccc3-4)S2)S1.
What is the InChIKey of 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole?
The InChIKey is OUNCQYZGRYRYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24S6/c1-3-7-27-23(5-1)17-25-15-21(9-11-29(25)27)19-37-32-33(40-34(39-32)31-35-13-14-36-31)38-20-22-10-12-30-26(16-22)18-24-6-2-4-8-28(24)30/h1-16H,17-20H2.
What are the key properties of 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole?
2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole has a molecular weight of 624.97 g/mol, XLogP of 11.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiol-2-ylidene)-4,5-bis(9H-fluoren-2-ylmethylsulfanyl)-1,3-dithiole is sourced from PubChem (CID 102525818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).