2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione

C35H22O2 — CID 164682128

IUPAC2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione
SMILESO=C1c2ccccc2C(=O)C12C(c1ccccc1)=C(c1ccccc1)c1cc(-c3ccccc3)ccc12
InChIInChI=1S/C35H22O2/c36-33-27-18-10-11-19-28(27)34(37)35(33)30-21-20-26(23-12-4-1-5-13-23)22-29(30)31(24-14-6-2-7-15-24)32(35)25-16-8-3-9-17-25/h1-22H
InChIKeyIEBZNIQRFXFXFD-UHFFFAOYSA-N
MW474.56 g/mol
LogP7.64
Rot. Bonds3

About 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione

2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione (PubChem CID 164682128) has the molecular formula C35H22O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione.

Molecular Properties

Compound Name2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione
PubChem CID164682128
Molecular FormulaC35H22O2
Molecular Weight474.56 g/mol
Exact Mass474.16
IUPAC Name2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione
SMILESO=C1c2ccccc2C(=O)C12C(c1ccccc1)=C(c1ccccc1)c1cc(-c3ccccc3)ccc12
InChIInChI=1S/C35H22O2/c36-33-27-18-10-11-19-28(27)34(37)35(33)30-21-20-26(23-12-4-1-5-13-23)22-29(30)31(24-14-6-2-7-15-24)32(35)25-16-8-3-9-17-25/h1-22H
InChIKeyIEBZNIQRFXFXFD-UHFFFAOYSA-N
XLogP7.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione
CID 164682129
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
3,9,9-triphenylfluorene
CID 140844354
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylanthracen-9-one
CID 155281518
10,10-di(cyclohexa-1,5-dien-1-yl)-2,7-bis(3,5-diphenylphenyl)anthracen-9-one
CID 123829053
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 158550157
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
3,6-diphenylspiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]
CID 123456115
2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 167284789

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione?
The IUPAC name of 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione (CID 164682128) is 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione.
What is the SMILES notation for 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione?
The canonical SMILES for 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione is O=C1c2ccccc2C(=O)C12C(c1ccccc1)=C(c1ccccc1)c1cc(-c3ccccc3)ccc12.
What is the InChIKey of 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione?
The InChIKey is IEBZNIQRFXFXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22O2/c36-33-27-18-10-11-19-28(27)34(37)35(33)30-21-20-26(23-12-4-1-5-13-23)22-29(30)31(24-14-6-2-7-15-24)32(35)25-16-8-3-9-17-25/h1-22H.
What are the key properties of 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione?
2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione has a molecular weight of 474.56 g/mol, XLogP of 7.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione is sourced from PubChem (CID 164682128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).