2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole

C20H14S4 — CID 162419128

IUPAC2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole
SMILESC1=CC2C(=C3SC=CS3)c3ccccc3C(=C3SC=CS3)C2C=C1
InChIInChI=1S/C20H14S4/c1-2-6-14-13(5-1)17(19-21-9-10-22-19)15-7-3-4-8-16(15)18(14)20-23-11-12-24-20/h1-14H
InChIKeyMQIDFJIAZWEPTC-UHFFFAOYSA-N
MW382.60 g/mol
LogP7.30
Rot. Bonds

About 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole

2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole (PubChem CID 162419128) has the molecular formula C20H14S4 and a molecular weight of 382.60 g/mol. Its IUPAC name is 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole.

Molecular Properties

Compound Name2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole
PubChem CID162419128
Molecular FormulaC20H14S4
Molecular Weight382.60 g/mol
Exact Mass382.00
IUPAC Name2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole
SMILESC1=CC2C(=C3SC=CS3)c3ccccc3C(=C3SC=CS3)C2C=C1
InChIInChI=1S/C20H14S4/c1-2-6-14-13(5-1)17(19-21-9-10-22-19)15-7-3-4-8-16(15)18(14)20-23-11-12-24-20/h1-14H
InChIKeyMQIDFJIAZWEPTC-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole with MolForge

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Related Compounds

4a,8a-dihydronaphthalene-1,4-dione;naphthalene-1,4-dione
CID 158641233
4a,9a-dihydroanthracene-9,10-dione;ethane
CID 90920478
5-bromo-4a,7,8,12c-tetrahydrobenzo[c]phenanthrene
CID 144726276
(6-bromocyclohexa-2,4-dien-1-yl)benzene
CID 126636127
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
(4aS,9aR)-9a,10-dihydro-4aH-anthracen-9-one
CID 7057091
7,14-diphenyl-29-oxadodecacyclo[21.14.2.22,5.224,27.03,19.04,16.06,15.08,13.020,38.025,34.026,31.035,39]tritetraconta-1(38),2,4,6,9,11,14,16,18,20,22,24(41),25(34),26(31),27(40),32,35(39),36,42-nonadecaene-28,30-dione
CID 123975300
(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene
CID 139082581
3-[10-(2-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 171421007
9-(4b,8a-dihydrophenanthren-9-yl)-10-(cyclodecapentaenyl)-4a,9a-dihydroanthracene
CID 123876130
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene
CID 123589804
9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene
CID 177453587

Frequently Asked Questions

What is the IUPAC name of 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole?
The IUPAC name of 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole (CID 162419128) is 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole.
What is the SMILES notation for 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole?
The canonical SMILES for 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole is C1=CC2C(=C3SC=CS3)c3ccccc3C(=C3SC=CS3)C2C=C1.
What is the InChIKey of 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole?
The InChIKey is MQIDFJIAZWEPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14S4/c1-2-6-14-13(5-1)17(19-21-9-10-22-19)15-7-3-4-8-16(15)18(14)20-23-11-12-24-20/h1-14H.
What are the key properties of 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole?
2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole has a molecular weight of 382.60 g/mol, XLogP of 7.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(1,3-dithiol-2-ylidene)-4a,9a-dihydroanthracen-9-ylidene]-1,3-dithiole is sourced from PubChem (CID 162419128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).