2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]

C30H20 — CID 158389745

IUPAC2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
SMILESC1=CCC(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)=C1
InChIInChI=1S/C30H20/c1-2-10-20(9-1)21-17-18-25-24-13-5-8-16-28(24)30(29(25)19-21)26-14-6-3-11-22(26)23-12-4-7-15-27(23)30/h1-9,11-19H,10H2
InChIKeyGWUPWIDLTCCRKW-UHFFFAOYSA-N
MW380.49 g/mol
LogP7.37
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]

2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene] (PubChem CID 158389745) has the molecular formula C30H20 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
PubChem CID158389745
Molecular FormulaC30H20
Molecular Weight380.49 g/mol
Exact Mass380.16
IUPAC Name2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
SMILESC1=CCC(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)=C1
InChIInChI=1S/C30H20/c1-2-10-20(9-1)21-17-18-25-24-13-5-8-16-28(24)30(29(25)19-21)26-14-6-3-11-22(26)23-12-4-7-15-27(23)30/h1-9,11-19H,10H2
InChIKeyGWUPWIDLTCCRKW-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 142381902
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene
CID 155571314
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene
CID 10885315
2-cyclopenta-1,3-dien-1-yl-9-propyl-9H-fluorene
CID 90787993
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
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2-(3-iodophenyl)-9,9'-spirobi[fluorene]
CID 59668504

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene] (CID 158389745) is 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene] is C1=CCC(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)=C1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]?
The InChIKey is GWUPWIDLTCCRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20/c1-2-10-20(9-1)21-17-18-25-24-13-5-8-16-28(24)30(29(25)19-21)26-14-6-3-11-22(26)23-12-4-7-15-27(23)30/h1-9,11-19H,10H2.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]?
2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene] has a molecular weight of 380.49 g/mol, XLogP of 7.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 158389745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).