9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol

C34H24O2S2 — CID 10940375

IUPAC9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol
SMILESCCOC1(c2cc3sc(C4(O)c5ccccc5-c5ccccc54)cc3s2)c2ccccc2-c2ccccc21
InChIInChI=1S/C34H24O2S2/c1-2-36-34(27-17-9-5-13-23(27)24-14-6-10-18-28(24)34)32-20-30-29(38-32)19-31(37-30)33(35)25-15-7-3-11-21(25)22-12-4-8-16-26(22)33/h3-20,35H,2H2,1H3
InChIKeyHUUXSIHXBNZHRZ-UHFFFAOYSA-N
MW528.70 g/mol
LogP8.54
Rot. Bonds4

About 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol

9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol (PubChem CID 10940375) has the molecular formula C34H24O2S2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol.

Molecular Properties

Compound Name9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol
PubChem CID10940375
Molecular FormulaC34H24O2S2
Molecular Weight528.70 g/mol
Exact Mass528.12
IUPAC Name9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol
SMILESCCOC1(c2cc3sc(C4(O)c5ccccc5-c5ccccc54)cc3s2)c2ccccc2-c2ccccc21
InChIInChI=1S/C34H24O2S2/c1-2-36-34(27-17-9-5-13-23(27)24-14-6-10-18-28(24)34)32-20-30-29(38-32)19-31(37-30)33(35)25-15-7-3-11-21(25)22-12-4-8-16-26(22)33/h3-20,35H,2H2,1H3
InChIKeyHUUXSIHXBNZHRZ-UHFFFAOYSA-N
XLogP8.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol?
The IUPAC name of 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol (CID 10940375) is 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol.
What is the SMILES notation for 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol?
The canonical SMILES for 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol is CCOC1(c2cc3sc(C4(O)c5ccccc5-c5ccccc54)cc3s2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol?
The InChIKey is HUUXSIHXBNZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O2S2/c1-2-36-34(27-17-9-5-13-23(27)24-14-6-10-18-28(24)34)32-20-30-29(38-32)19-31(37-30)33(35)25-15-7-3-11-21(25)22-12-4-8-16-26(22)33/h3-20,35H,2H2,1H3.
What are the key properties of 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol?
9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol has a molecular weight of 528.70 g/mol, XLogP of 8.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(9-ethoxyfluoren-9-yl)thieno[3,2-b]thiophen-2-yl]fluoren-9-ol is sourced from PubChem (CID 10940375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).