3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]

C28H17F — CID 167529980

IUPAC3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]
SMILESFc1ccc2c(c1)C1=C(C2)c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C28H17F/c29-18-14-13-17-15-23-21-9-3-6-12-26(21)28(27(23)22(17)16-18)24-10-4-1-7-19(24)20-8-2-5-11-25(20)28/h1-14,16H,15H2
InChIKeyLZDZDSUVWVNMII-UHFFFAOYSA-N
MW372.44 g/mol
LogP6.62
Rot. Bonds

About 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]

3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene] (PubChem CID 167529980) has the molecular formula C28H17F and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene].

Molecular Properties

Compound Name3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]
PubChem CID167529980
Molecular FormulaC28H17F
Molecular Weight372.44 g/mol
Exact Mass372.13
IUPAC Name3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]
SMILESFc1ccc2c(c1)C1=C(C2)c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C28H17F/c29-18-14-13-17-15-23-21-9-3-6-12-26(21)28(27(23)22(17)16-18)24-10-4-1-7-19(24)20-8-2-5-11-25(20)28/h1-14,16H,15H2
InChIKeyLZDZDSUVWVNMII-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]
CID 126652948
3'-(5-methylcyclohexa-1,3-dien-1-yl)spiro[5H-indeno[2,1-a]indene-10,9'-fluorene]
CID 145291435
3-fluoro-9,9-dimethylfluorene
CID 130217991
4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 10975535
2'-fluorospiro[cyclohexane-1,9'-fluorene]
CID 18740734
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
CID 58142034
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-(3-fluorophenyl)fluorene
CID 135164405
CID 140845137
CID 140845137
2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione
CID 164682123
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311
bis(6,12-dihydroindeno[1,2-b]fluorene);ethane;bis(9H-fluorene);phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161124439

Frequently Asked Questions

What is the IUPAC name of 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]?
The IUPAC name of 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene] (CID 167529980) is 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene].
What is the SMILES notation for 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]?
The canonical SMILES for 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene] is Fc1ccc2c(c1)C1=C(C2)c2ccccc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]?
The InChIKey is LZDZDSUVWVNMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F/c29-18-14-13-17-15-23-21-9-3-6-12-26(21)28(27(23)22(17)16-18)24-10-4-1-7-19(24)20-8-2-5-11-25(20)28/h1-14,16H,15H2.
What are the key properties of 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene]?
3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene] has a molecular weight of 372.44 g/mol, XLogP of 6.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorospiro[10H-indeno[2,1-a]indene-5,9'-fluorene] is sourced from PubChem (CID 167529980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).