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

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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).