(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione

C30H20O2 — CID 164682129

IUPAC(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione
SMILESCc1ccc2c(c1)C(=O)[C@@]1(C2=O)C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C30H20O2/c1-19-16-17-22-24(18-19)29(32)30(28(22)31)25-15-9-8-14-23(25)26(20-10-4-2-5-11-20)27(30)21-12-6-3-7-13-21/h2-18H,1H3/t30-/m1/s1
InChIKeyFTXFLVHKRUDGSP-SSEXGKCCSA-N
MW412.49 g/mol
LogP6.28
Rot. Bonds2

About (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione

(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione (PubChem CID 164682129) has the molecular formula C30H20O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione.

Molecular Properties

Compound Name(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione
PubChem CID164682129
Molecular FormulaC30H20O2
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC Name(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione
SMILESCc1ccc2c(c1)C(=O)[C@@]1(C2=O)C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C30H20O2/c1-19-16-17-22-24(18-19)29(32)30(28(22)31)25-15-9-8-14-23(25)26(20-10-4-2-5-11-20)27(30)21-12-6-3-7-13-21/h2-18H,1H3/t30-/m1/s1
InChIKeyFTXFLVHKRUDGSP-SSEXGKCCSA-N
XLogP6.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.28
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

2,3,5-triphenyl-1,2'-spirobi[indene]-1',3'-dione
CID 164682128
2,3-bis(4-fluorophenyl)-1,2'-spirobi[indene]-1',3'-dione
CID 164682123
2'-(4-methylphenyl)-3'-phenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 141452538
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
(1S)-2'-cyclohexyl-5'-methyl-2,3-diphenylspiro[indene-1,4'-pyrazole]-3'-one
CID 134958403
CID 58607554
CID 58607554
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2',3'-diphenylspiro[dioxirane-3,1'-indene]
CID 57211511
1-(iodomethyl)-1-methyl-2,3-diphenylindene
CID 102347889
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255

Frequently Asked Questions

What is the IUPAC name of (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione?
The IUPAC name of (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione (CID 164682129) is (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione.
What is the SMILES notation for (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione?
The canonical SMILES for (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione is Cc1ccc2c(c1)C(=O)[C@@]1(C2=O)C(c2ccccc2)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione?
The InChIKey is FTXFLVHKRUDGSP-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H20O2/c1-19-16-17-22-24(18-19)29(32)30(28(22)31)25-15-9-8-14-23(25)26(20-10-4-2-5-11-20)27(30)21-12-6-3-7-13-21/h2-18H,1H3/t30-/m1/s1.
What are the key properties of (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione?
(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione has a molecular weight of 412.49 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione is sourced from PubChem (CID 164682129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).