2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene

C25H22S2 — CID 21095227

IUPAC2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene
SMILESCc1csc(-c2cc3c(cc2-c2scc(C)c2C)-c2ccccc2C3)c1C
InChIInChI=1S/C25H22S2/c1-14-12-26-24(16(14)3)22-10-19-9-18-7-5-6-8-20(18)21(19)11-23(22)25-17(4)15(2)13-27-25/h5-8,10-13H,9H2,1-4H3
InChIKeyUVORKFGASSCQMZ-UHFFFAOYSA-N
MW386.59 g/mol
LogP7.95
Rot. Bonds2

About 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene

2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene (PubChem CID 21095227) has the molecular formula C25H22S2 and a molecular weight of 386.59 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene.

Molecular Properties

Compound Name2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene
PubChem CID21095227
Molecular FormulaC25H22S2
Molecular Weight386.59 g/mol
Exact Mass386.12
IUPAC Name2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene
SMILESCc1csc(-c2cc3c(cc2-c2scc(C)c2C)-c2ccccc2C3)c1C
InChIInChI=1S/C25H22S2/c1-14-12-26-24(16(14)3)22-10-19-9-18-7-5-6-8-20(18)21(19)11-23(22)25-17(4)15(2)13-27-25/h5-8,10-13H,9H2,1-4H3
InChIKeyUVORKFGASSCQMZ-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.59
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene with MolForge

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Related Compounds

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
3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene
CID 173084225
ethene;9H-fluorene
CID 159544077
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497
bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
9H-fluorene;oxophosphane
CID 174601741
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
11-thianonacyclo[25.11.0.02,14.04,12.05,10.015,20.021,26.029,37.031,36]octatriaconta-1(27),2(14),3,5,7,9,12,15,17,19,21,23,25,28,31,33,35,37-octadecaene
CID 118655955
ethane;hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene
CID 160763232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene?
The IUPAC name of 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene (CID 21095227) is 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene.
What is the SMILES notation for 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene?
The canonical SMILES for 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene is Cc1csc(-c2cc3c(cc2-c2scc(C)c2C)-c2ccccc2C3)c1C.
What is the InChIKey of 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene?
The InChIKey is UVORKFGASSCQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22S2/c1-14-12-26-24(16(14)3)22-10-19-9-18-7-5-6-8-20(18)21(19)11-23(22)25-17(4)15(2)13-27-25/h5-8,10-13H,9H2,1-4H3.
What are the key properties of 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene?
2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene has a molecular weight of 386.59 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene is sourced from PubChem (CID 21095227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).