2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole

C38H30S4 — CID 101055689

IUPAC2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole
SMILESCC1=C(C)SC(=C(C(=C2SC(C)=C(C)S2)c2ccc3c(c2)Cc2ccccc2-3)c2ccc3c(c2)Cc2ccccc2-3)S1
InChIInChI=1S/C38H30S4/c1-21-22(2)40-37(39-21)35(27-13-15-33-29(19-27)17-25-9-5-7-11-31(25)33)36(38-41-23(3)24(4)42-38)28-14-16-34-30(20-28)18-26-10-6-8-12-32(26)34/h5-16,19-20H,17-18H2,1-4H3
InChIKeyVFMAETAMCYESQN-UHFFFAOYSA-N
MW614.93 g/mol
LogP12.33
Rot. Bonds3

About 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole

2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole (PubChem CID 101055689) has the molecular formula C38H30S4 and a molecular weight of 614.93 g/mol. Its IUPAC name is 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole.

Molecular Properties

Compound Name2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole
PubChem CID101055689
Molecular FormulaC38H30S4
Molecular Weight614.93 g/mol
Exact Mass614.12
IUPAC Name2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole
SMILESCC1=C(C)SC(=C(C(=C2SC(C)=C(C)S2)c2ccc3c(c2)Cc2ccccc2-3)c2ccc3c(c2)Cc2ccccc2-3)S1
InChIInChI=1S/C38H30S4/c1-21-22(2)40-37(39-21)35(27-13-15-33-29(19-27)17-25-9-5-7-11-31(25)33)36(38-41-23(3)24(4)42-38)28-14-16-34-30(20-28)18-26-10-6-8-12-32(26)34/h5-16,19-20H,17-18H2,1-4H3
InChIKeyVFMAETAMCYESQN-UHFFFAOYSA-N
XLogP12.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.93
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
ethane;9H-fluoren-2-amine
CID 142950354
ethane;9H-fluoren-2-ol
CID 91146688
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
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-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(9H-fluoren-2-yl)methanone
CID 39878233
(2,6-dimethylmorpholin-4-yl)-(9H-fluoren-2-yl)methanone
CID 71896788

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole?
The IUPAC name of 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) is 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole.
What is the SMILES notation for 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole?
The canonical SMILES for 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole is CC1=C(C)SC(=C(C(=C2SC(C)=C(C)S2)c2ccc3c(c2)Cc2ccccc2-3)c2ccc3c(c2)Cc2ccccc2-3)S1.
What is the InChIKey of 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole?
The InChIKey is VFMAETAMCYESQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30S4/c1-21-22(2)40-37(39-21)35(27-13-15-33-29(19-27)17-25-9-5-7-11-31(25)33)36(38-41-23(3)24(4)42-38)28-14-16-34-30(20-28)18-26-10-6-8-12-32(26)34/h5-16,19-20H,17-18H2,1-4H3.
What are the key properties of 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole?
2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole has a molecular weight of 614.93 g/mol, XLogP of 12.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole is sourced from PubChem (CID 101055689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).