5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

C53H40O2 — CID 146013151

IUPAC5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESOc1c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc2c1C1(CC2)CCc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c(O)c21
InChIInChI=1S/C53H40O2/c54-51-47(45-31-41(35-13-5-1-6-14-35)29-42(32-45)36-15-7-2-8-16-36)23-21-39-25-27-53(49(39)51)28-26-40-22-24-48(52(55)50(40)53)46-33-43(37-17-9-3-10-18-37)30-44(34-46)38-19-11-4-12-20-38/h1-24,29-34,54-55H,25-28H2
InChIKeyIEDASGLQMOOCIX-UHFFFAOYSA-N
MW708.90 g/mol
LogP13.28
Rot. Bonds6

About 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (PubChem CID 146013151) has the molecular formula C53H40O2 and a molecular weight of 708.90 g/mol. Its IUPAC name is 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.

Molecular Properties

Compound Name5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
PubChem CID146013151
Molecular FormulaC53H40O2
Molecular Weight708.90 g/mol
Exact Mass708.30
IUPAC Name5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESOc1c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc2c1C1(CC2)CCc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c(O)c21
InChIInChI=1S/C53H40O2/c54-51-47(45-31-41(35-13-5-1-6-14-35)29-42(32-45)36-15-7-2-8-16-36)23-21-39-25-27-53(49(39)51)28-26-40-22-24-48(52(55)50(40)53)46-33-43(37-17-9-3-10-18-37)30-44(34-46)38-19-11-4-12-20-38/h1-24,29-34,54-55H,25-28H2
InChIKeyIEDASGLQMOOCIX-UHFFFAOYSA-N
XLogP13.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 513.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
CID 50917365
5,5'-bis(2,4,6-trimethylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
CID 139269610
5,5'-dibromo-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
CID 53306803
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
(3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
CID 134955933
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062
2-(3-chloro-5-phenylphenyl)phenol
CID 175394948
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615

Frequently Asked Questions

What is the IUPAC name of 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The IUPAC name of 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (CID 146013151) is 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.
What is the SMILES notation for 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The canonical SMILES for 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is Oc1c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc2c1C1(CC2)CCc2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c(O)c21.
What is the InChIKey of 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The InChIKey is IEDASGLQMOOCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40O2/c54-51-47(45-31-41(35-13-5-1-6-14-35)29-42(32-45)36-15-7-2-8-16-36)23-21-39-25-27-53(49(39)51)28-26-40-22-24-48(52(55)50(40)53)46-33-43(37-17-9-3-10-18-37)30-44(34-46)38-19-11-4-12-20-38/h1-24,29-34,54-55H,25-28H2.
What are the key properties of 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol has a molecular weight of 708.90 g/mol, XLogP of 13.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is sourced from PubChem (CID 146013151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).