spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]

C28H24O — CID 168834609

IUPACspiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]
SMILESc1ccc2c(c1)-c1ccc3c(oc4ccccc43)c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H24O/c1-3-7-24-20(5-1)22-9-10-23-21-6-2-4-8-25(21)29-27(23)26(22)28(24)18-12-16-11-17(14-18)15-19(28)13-16/h1-10,16-19H,11-15H2
InChIKeyIJSZAEXRSAAWFD-UHFFFAOYSA-N
MW376.50 g/mol
LogP7.31
Rot. Bonds

About spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]

spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran] (PubChem CID 168834609) has the molecular formula C28H24O and a molecular weight of 376.50 g/mol. Its IUPAC name is spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran].

Molecular Properties

Compound Namespiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]
PubChem CID168834609
Molecular FormulaC28H24O
Molecular Weight376.50 g/mol
Exact Mass376.18
IUPAC Namespiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]
SMILESc1ccc2c(c1)-c1ccc3c(oc4ccccc43)c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H24O/c1-3-7-24-20(5-1)22-9-10-23-21-6-2-4-8-25(21)29-27(23)26(22)28(24)18-12-16-11-17(14-18)15-19(28)13-16/h1-10,16-19H,11-15H2
InChIKeyIJSZAEXRSAAWFD-UHFFFAOYSA-N
XLogP7.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-spiro[adamantane-2,9'-fluorene]-1'-yl-1,3,5-triazine
CID 156561204
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
2-[4-(6'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]dibenzofuran
CID 168803731
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353713
4-naphthalen-1-yl-1-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran
CID 168803856
3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran
CID 168834537
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-1'-amine
CID 168722436
4'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809012
2-[3-(4'-dibenzofuran-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)phenyl]-4,6-diphenylpyrimidine
CID 168803641
4-dibenzofuran-4-yl-6-phenyl-2-spiro[adamantane-2,7'-fluoreno[4,3-b][1]benzofuran]-2'-ylpyrimidine
CID 168834527

Frequently Asked Questions

What is the IUPAC name of spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]?
The IUPAC name of spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran] (CID 168834609) is spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran].
What is the SMILES notation for spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]?
The canonical SMILES for spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran] is c1ccc2c(c1)-c1ccc3c(oc4ccccc43)c1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]?
The InChIKey is IJSZAEXRSAAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O/c1-3-7-24-20(5-1)22-9-10-23-21-6-2-4-8-25(21)29-27(23)26(22)28(24)18-12-16-11-17(14-18)15-19(28)13-16/h1-10,16-19H,11-15H2.
What are the key properties of spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]?
spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran] has a molecular weight of 376.50 g/mol, XLogP of 7.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran] is sourced from PubChem (CID 168834609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).