2',3'-diphenylspiro[dioxirane-3,1'-indene]

C21H14O2 — CID 57211511

IUPAC2',3'-diphenylspiro[dioxirane-3,1'-indene]
SMILESc1ccc(C2=C(c3ccccc3)C3(OO3)c3ccccc32)cc1
InChIInChI=1S/C21H14O2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21(22-23-21)20(19)16-11-5-2-6-12-16/h1-14H
InChIKeyWTAGPGQJGVPDAI-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.77
Rot. Bonds2

About 2',3'-diphenylspiro[dioxirane-3,1'-indene]

2',3'-diphenylspiro[dioxirane-3,1'-indene] (PubChem CID 57211511) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2',3'-diphenylspiro[dioxirane-3,1'-indene].

Molecular Properties

Compound Name2',3'-diphenylspiro[dioxirane-3,1'-indene]
PubChem CID57211511
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name2',3'-diphenylspiro[dioxirane-3,1'-indene]
SMILESc1ccc(C2=C(c3ccccc3)C3(OO3)c3ccccc32)cc1
InChIInChI=1S/C21H14O2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21(22-23-21)20(19)16-11-5-2-6-12-16/h1-14H
InChIKeyWTAGPGQJGVPDAI-UHFFFAOYSA-N
XLogP4.77
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(iodomethyl)-1-methyl-2,3-diphenylindene
CID 102347889
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
2'-(4-methylphenyl)-3'-phenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 141452538
(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione
CID 164682129
2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione
CID 164682123
5-phenyl-10-[4-(5-phenylindeno[1,2-b]inden-10-yl)phenyl]indeno[2,1-a]indene
CID 177426395
2'-sulfanylidenespiro[dioxirane-3,3'-indene]-1'-one
CID 20575266
2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione
CID 164682128
1,1-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-phenylindene
CID 135024724
4b-(4-methoxyphenyl)-10-phenyl-5H-indeno[2,1-a]indene
CID 132602666
CID 69011285
CID 69011285
1,1,2,3,4-pentakis-phenyl-2H-naphthalene
CID 102532402

Frequently Asked Questions

What is the IUPAC name of 2',3'-diphenylspiro[dioxirane-3,1'-indene]?
The IUPAC name of 2',3'-diphenylspiro[dioxirane-3,1'-indene] (CID 57211511) is 2',3'-diphenylspiro[dioxirane-3,1'-indene].
What is the SMILES notation for 2',3'-diphenylspiro[dioxirane-3,1'-indene]?
The canonical SMILES for 2',3'-diphenylspiro[dioxirane-3,1'-indene] is c1ccc(C2=C(c3ccccc3)C3(OO3)c3ccccc32)cc1.
What is the InChIKey of 2',3'-diphenylspiro[dioxirane-3,1'-indene]?
The InChIKey is WTAGPGQJGVPDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21(22-23-21)20(19)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 2',3'-diphenylspiro[dioxirane-3,1'-indene]?
2',3'-diphenylspiro[dioxirane-3,1'-indene] has a molecular weight of 298.34 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3'-diphenylspiro[dioxirane-3,1'-indene] is sourced from PubChem (CID 57211511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).