5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

C29H24O2 — CID 50917365

IUPAC5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESOc1c(-c2ccccc2)ccc2c1C1(CC2)CCc2ccc(-c3ccccc3)c(O)c21
InChIInChI=1S/C29H24O2/c30-27-23(19-7-3-1-4-8-19)13-11-21-15-17-29(25(21)27)18-16-22-12-14-24(28(31)26(22)29)20-9-5-2-6-10-20/h1-14,30-31H,15-18H2
InChIKeyKHSOMFOPCBJBMA-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.61
Rot. Bonds2

About 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (PubChem CID 50917365) has the molecular formula C29H24O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.

Molecular Properties

Compound Name5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
PubChem CID50917365
Molecular FormulaC29H24O2
Molecular Weight404.51 g/mol
Exact Mass404.18
IUPAC Name5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESOc1c(-c2ccccc2)ccc2c1C1(CC2)CCc2ccc(-c3ccccc3)c(O)c21
InChIInChI=1S/C29H24O2/c30-27-23(19-7-3-1-4-8-19)13-11-21-15-17-29(25(21)27)18-16-22-12-14-24(28(31)26(22)29)20-9-5-2-6-10-20/h1-14,30-31H,15-18H2
InChIKeyKHSOMFOPCBJBMA-UHFFFAOYSA-N
XLogP6.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The IUPAC name of 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (CID 50917365) is 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.
What is the SMILES notation for 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The canonical SMILES for 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is Oc1c(-c2ccccc2)ccc2c1C1(CC2)CCc2ccc(-c3ccccc3)c(O)c21.
What is the InChIKey of 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The InChIKey is KHSOMFOPCBJBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O2/c30-27-23(19-7-3-1-4-8-19)13-11-21-15-17-29(25(21)27)18-16-22-12-14-24(28(31)26(22)29)20-9-5-2-6-10-20/h1-14,30-31H,15-18H2.
What are the key properties of 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol has a molecular weight of 404.51 g/mol, XLogP of 6.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is sourced from PubChem (CID 50917365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).