(3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione

C30H20O2 — CID 92644227

IUPAC(3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione
SMILESO=C1C[C@]2(c3ccccc31)c1ccccc1[C@]1(c3ccccc3)c3ccccc3C(=O)[C@@H]21
InChIInChI=1S/C30H20O2/c31-26-18-29(22-14-6-4-12-20(22)26)24-16-8-9-17-25(24)30(19-10-2-1-3-11-19)23-15-7-5-13-21(23)27(32)28(29)30/h1-17,28H,18H2/t28-,29-,30-/m0/s1
InChIKeyFYBGQGQDKPCNAS-DTXPUJKBSA-N
MW412.49 g/mol
LogP5.72
Rot. Bonds1

About (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione

(3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione (PubChem CID 92644227) has the molecular formula C30H20O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione.

Molecular Properties

Compound Name(3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione
PubChem CID92644227
Molecular FormulaC30H20O2
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC Name(3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione
SMILESO=C1C[C@]2(c3ccccc31)c1ccccc1[C@]1(c3ccccc3)c3ccccc3C(=O)[C@@H]21
InChIInChI=1S/C30H20O2/c31-26-18-29(22-14-6-4-12-20(22)26)24-16-8-9-17-25(24)30(19-10-2-1-3-11-19)23-15-7-5-13-21(23)27(32)28(29)30/h1-17,28H,18H2/t28-,29-,30-/m0/s1
InChIKeyFYBGQGQDKPCNAS-DTXPUJKBSA-N
XLogP5.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-cyclopentyl-9-phenylfluorene
CID 59853281
2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
CID 3793206
4-(1-bromo-4-oxo-2-phenyl-1,3-dihydronaphthalen-2-yl)benzonitrile
CID 23583920
(1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one
CID 11610338
4-hydroxy-2,3-dimethyl-3,4-diphenyl-2H-naphthalen-1-one
CID 10268957
(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
CID 102415186
(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one
CID 125117217
(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 135173286
3-fluoro-3-methyl-2H-inden-1-one
CID 122380797
3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
CID 132519091
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
2-amino-4,4-dimethyl-2,3-dihydronaphthalen-1-one;hydrochloride
CID 54602990

Frequently Asked Questions

What is the IUPAC name of (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione?
The IUPAC name of (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione (CID 92644227) is (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione.
What is the SMILES notation for (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione?
The canonical SMILES for (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione is O=C1C[C@]2(c3ccccc31)c1ccccc1[C@]1(c3ccccc3)c3ccccc3C(=O)[C@@H]21.
What is the InChIKey of (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione?
The InChIKey is FYBGQGQDKPCNAS-DTXPUJKBSA-N. The full InChI is InChI=1S/C30H20O2/c31-26-18-29(22-14-6-4-12-20(22)26)24-16-8-9-17-25(24)30(19-10-2-1-3-11-19)23-15-7-5-13-21(23)27(32)28(29)30/h1-17,28H,18H2/t28-,29-,30-/m0/s1.
What are the key properties of (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione?
(3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione has a molecular weight of 412.49 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione is sourced from PubChem (CID 92644227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).