(2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile

C30H21N3O3 — CID 56964667

IUPAC(2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile
SMILESN#CC1(C#N)[C@@H](c2ccccc2)CC2=C(C(=O)C[C@@H](c3ccccc3)O2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C30H21N3O3/c31-17-29(18-32)22(19-9-3-1-4-10-19)15-26-27(24(34)16-25(36-26)20-11-5-2-6-12-20)30(29)21-13-7-8-14-23(21)33-28(30)35/h1-14,22,25H,15-16H2,(H,33,35)/t22-,25+,30-/m1/s1
InChIKeyWTXPTXUMTMBWTC-YDIMZXDKSA-N
MW471.52 g/mol
LogP5.08
Rot. Bonds2

About (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile

(2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile (PubChem CID 56964667) has the molecular formula C30H21N3O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile.

Molecular Properties

Compound Name(2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile
PubChem CID56964667
Molecular FormulaC30H21N3O3
Molecular Weight471.52 g/mol
Exact Mass471.16
IUPAC Name(2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile
SMILESN#CC1(C#N)[C@@H](c2ccccc2)CC2=C(C(=O)C[C@@H](c3ccccc3)O2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C30H21N3O3/c31-17-29(18-32)22(19-9-3-1-4-10-19)15-26-27(24(34)16-25(36-26)20-11-5-2-6-12-20)30(29)21-13-7-8-14-23(21)33-28(30)35/h1-14,22,25H,15-16H2,(H,33,35)/t22-,25+,30-/m1/s1
InChIKeyWTXPTXUMTMBWTC-YDIMZXDKSA-N
XLogP5.08
TPSA102.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2'S,3R,7'R)-2',7'-bis(4-methoxyphenyl)-2,4'-dioxospiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile
CID 56964882
(2'S,3R,7'S)-2,4'-dioxo-2',7'-dithiophen-2-ylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile
CID 56964997
5-phenyloxolane-2,3-dione
CID 14450727
(3S,3'R)-2-oxo-3'-phenylspiro[1H-indole-3,1'-5,6,7,8-tetrahydro-3H-pyrrolizine]-2',2'-dicarbonitrile
CID 135002693
(3S,4'S)-2-oxo-2',4'-diphenylspiro[1H-indole-3,6'-4,7-dihydro-1-benzofuran]-5',5'-dicarbonitrile
CID 102142441
(3S,3'S,8'S)-3'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-5,6,7,8-tetrahydro-3H-pyrrolizine]-1',1'-dicarbonitrile
CID 101474693
(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione
CID 503273
1-methyl-4-oxo-2,6-diphenylcyclohexane-1-carbonitrile
CID 69303844
11-hydroxy-12-methyl-5-phenyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodec-2(7)-en-3-one
CID 162862438
4-[(2R)-4-oxo-2,3-dihydrochromen-2-yl]benzonitrile
CID 25136970
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083

Frequently Asked Questions

What is the IUPAC name of (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile?
The IUPAC name of (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile (CID 56964667) is (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile.
What is the SMILES notation for (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile?
The canonical SMILES for (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile is N#CC1(C#N)[C@@H](c2ccccc2)CC2=C(C(=O)C[C@@H](c3ccccc3)O2)[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile?
The InChIKey is WTXPTXUMTMBWTC-YDIMZXDKSA-N. The full InChI is InChI=1S/C30H21N3O3/c31-17-29(18-32)22(19-9-3-1-4-10-19)15-26-27(24(34)16-25(36-26)20-11-5-2-6-12-20)30(29)21-13-7-8-14-23(21)33-28(30)35/h1-14,22,25H,15-16H2,(H,33,35)/t22-,25+,30-/m1/s1.
What are the key properties of (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile?
(2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile has a molecular weight of 471.52 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R,7'R)-2,4'-dioxo-2',7'-diphenylspiro[1H-indole-3,5'-2,3,7,8-tetrahydrochromene]-6',6'-dicarbonitrile is sourced from PubChem (CID 56964667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).