2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole

C18H14S2 — CID 86191028

IUPAC2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole
SMILESCC1=C(C)SC(=C2c3ccccc3-c3ccccc32)S1
InChIInChI=1S/C18H14S2/c1-11-12(2)20-18(19-11)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,1-2H3
InChIKeySKTWTBOHMMGJGV-UHFFFAOYSA-N
MW294.44 g/mol
LogP6.12
Rot. Bonds

About 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole

2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole (PubChem CID 86191028) has the molecular formula C18H14S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole.

Molecular Properties

Compound Name2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole
PubChem CID86191028
Molecular FormulaC18H14S2
Molecular Weight294.44 g/mol
Exact Mass294.05
IUPAC Name2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole
SMILESCC1=C(C)SC(=C2c3ccccc3-c3ccccc32)S1
InChIInChI=1S/C18H14S2/c1-11-12(2)20-18(19-11)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,1-2H3
InChIKeySKTWTBOHMMGJGV-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[10-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)anthracen-9-ylidene]cyanamide
CID 100929284
biphenylene;hydron
CID 173077542
2-[2,3,4,5-tetrakis(1,3-benzodithiol-2-ylidene)cyclopentylidene]-1,3-benzodithiole
CID 102260692
2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]indene-1,3-dione
CID 2332991
4,5-dimethyl-2-[10-(4-methyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-1,3-dithiole
CID 15417471
6,12-bis(4-methylphenyl)indeno[1,2-b]fluorene
CID 102489573
2-(2,6-diphenylselenopyran-4-ylidene)-4,5-dimethyl-1,3-dithiole
CID 14922924
2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole
CID 101055689
diethyl 2-(1,3-dioxoinden-2-ylidene)-1,3-dithiole-4,5-dicarboxylate
CID 58659859
20-[10-(4,5-dimethyl-1,3-dithiol-2-ylidene)anthracen-9-ylidene]-5,8,11,14-tetraoxa-2,17,19,21-tetrathiabicyclo[16.3.0]henicos-1(18)-ene
CID 15528383
1,2-xylene;zirconium
CID 174354618
acetonitrile;biphenylene
CID 23213528

Frequently Asked Questions

What is the IUPAC name of 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole?
The IUPAC name of 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole (CID 86191028) is 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole.
What is the SMILES notation for 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole?
The canonical SMILES for 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole is CC1=C(C)SC(=C2c3ccccc3-c3ccccc32)S1.
What is the InChIKey of 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole?
The InChIKey is SKTWTBOHMMGJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14S2/c1-11-12(2)20-18(19-11)17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,1-2H3.
What are the key properties of 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole?
2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole has a molecular weight of 294.44 g/mol, XLogP of 6.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole is sourced from PubChem (CID 86191028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).