2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene

C32H20S2 — CID 59779545

IUPAC2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene
SMILESc1ccc2c(c1)Cc1cc(-c3cc4sc(-c5ccc6c(c5)Cc5ccccc5-6)cc4s3)ccc1-2
InChIInChI=1S/C32H20S2/c1-3-7-25-19(5-1)13-23-15-21(9-11-27(23)25)29-17-31-32(33-29)18-30(34-31)22-10-12-28-24(16-22)14-20-6-2-4-8-26(20)28/h1-12,15-18H,13-14H2
InChIKeyKXFOLZKOHGODJC-UHFFFAOYSA-N
MW468.65 g/mol
LogP9.44
Rot. Bonds2

About 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene

2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene (PubChem CID 59779545) has the molecular formula C32H20S2 and a molecular weight of 468.65 g/mol. Its IUPAC name is 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene
PubChem CID59779545
Molecular FormulaC32H20S2
Molecular Weight468.65 g/mol
Exact Mass468.10
IUPAC Name2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene
SMILESc1ccc2c(c1)Cc1cc(-c3cc4sc(-c5ccc6c(c5)Cc5ccccc5-6)cc4s3)ccc1-2
InChIInChI=1S/C32H20S2/c1-3-7-25-19(5-1)13-23-15-21(9-11-27(23)25)29-17-31-32(33-29)18-30(34-31)22-10-12-28-24(16-22)14-20-6-2-4-8-26(20)28/h1-12,15-18H,13-14H2
InChIKeyKXFOLZKOHGODJC-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(22-naphthalen-2-yl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenyl)-1-benzothiophene
CID 59413455
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
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene
CID 71446326
9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
CID 173160450
2-(9H-fluoren-2-yl)-1H-pyrrole
CID 21095785
2-[4-[[4-(9H-fluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9H-fluorene
CID 164833806
5-(9H-fluoren-2-yl)-2-[5-(9H-fluoren-2-yl)-2-pyridinyl]pyridine
CID 86049037
9H-fluorene;oxophosphane
CID 174601741
4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
CID 160811980
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene?
The IUPAC name of 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene (CID 59779545) is 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene is c1ccc2c(c1)Cc1cc(-c3cc4sc(-c5ccc6c(c5)Cc5ccccc5-6)cc4s3)ccc1-2.
What is the InChIKey of 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene?
The InChIKey is KXFOLZKOHGODJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20S2/c1-3-7-25-19(5-1)13-23-15-21(9-11-27(23)25)29-17-31-32(33-29)18-30(34-31)22-10-12-28-24(16-22)14-20-6-2-4-8-26(20)28/h1-12,15-18H,13-14H2.
What are the key properties of 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene?
2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene has a molecular weight of 468.65 g/mol, XLogP of 9.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene is sourced from PubChem (CID 59779545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).