2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene

C33H20S2 — CID 10885315

IUPAC2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene
SMILESc1csc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4cccs4)cc32)c1
InChIInChI=1S/C33H20S2/c1-3-9-27-23(7-1)25-15-13-21(31-11-5-17-34-31)19-29(25)33(27)28-10-4-2-8-24(28)26-16-14-22(20-30(26)33)32-12-6-18-35-32/h1-20H
InChIKeyKZJAFHWIOVGYLB-UHFFFAOYSA-N
MW480.66 g/mol
LogP9.49
Rot. Bonds2

About 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene

2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene (PubChem CID 10885315) has the molecular formula C33H20S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene.

Molecular Properties

Compound Name2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene
PubChem CID10885315
Molecular FormulaC33H20S2
Molecular Weight480.66 g/mol
Exact Mass480.10
IUPAC Name2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene
SMILESc1csc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4cccs4)cc32)c1
InChIInChI=1S/C33H20S2/c1-3-9-27-23(7-1)25-15-13-21(31-11-5-17-34-31)19-29(25)33(27)28-10-4-2-8-24(28)26-16-14-22(20-30(26)33)32-12-6-18-35-32/h1-20H
InChIKeyKZJAFHWIOVGYLB-UHFFFAOYSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine
CID 58233283
2-(9,9-dipropylfluoren-2-yl)thiophene
CID 129094201
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2-(3,4-diphenylphenyl)thiophene
CID 150825396
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
2,6-dithiophen-2-ylanthracene-9,10-dione
CID 11079243
2-(3-iodophenyl)-9,9'-spirobi[fluorene]
CID 59668504
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 158389745

Frequently Asked Questions

What is the IUPAC name of 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene?
The IUPAC name of 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene (CID 10885315) is 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene.
What is the SMILES notation for 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene?
The canonical SMILES for 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene is c1csc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4cccs4)cc32)c1.
What is the InChIKey of 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene?
The InChIKey is KZJAFHWIOVGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20S2/c1-3-9-27-23(7-1)25-15-13-21(31-11-5-17-34-31)19-29(25)33(27)28-10-4-2-8-24(28)26-16-14-22(20-30(26)33)32-12-6-18-35-32/h1-20H.
What are the key properties of 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene?
2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene has a molecular weight of 480.66 g/mol, XLogP of 9.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene is sourced from PubChem (CID 10885315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).