(3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione

C36H26ClNO3 — CID 132533710

IUPAC(3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione
SMILESO=C1C[C@@H](c2ccccc2)[C@]2(O1)C(=O)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc12
InChIInChI=1S/C36H26ClNO3/c37-29-21-22-32-31(23-29)36(30(24-33(39)41-36)25-13-5-1-6-14-25)34(40)38(32)35(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-23,30H,24H2/t30-,36+/m0/s1
InChIKeyKNCJWRRAPFOFHL-RYWJPUDZSA-N
MW556.06 g/mol
LogP7.60
Rot. Bonds5

About (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione

(3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione (PubChem CID 132533710) has the molecular formula C36H26ClNO3 and a molecular weight of 556.06 g/mol. Its IUPAC name is (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name(3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione
PubChem CID132533710
Molecular FormulaC36H26ClNO3
Molecular Weight556.06 g/mol
Exact Mass555.16
IUPAC Name(3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione
SMILESO=C1C[C@@H](c2ccccc2)[C@]2(O1)C(=O)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc12
InChIInChI=1S/C36H26ClNO3/c37-29-21-22-32-31(23-29)36(30(24-33(39)41-36)25-13-5-1-6-14-25)34(40)38(32)35(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-23,30H,24H2/t30-,36+/m0/s1
InChIKeyKNCJWRRAPFOFHL-RYWJPUDZSA-N
XLogP7.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.06
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione
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6-chloro-3-imino-1-tritylindol-2-one
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5-chloro-1-methyl-3-phenyl-3H-indol-2-one
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CID 162546076
(R)-N-[(3R)-3-[(2R)-2,4-dimethyl-5-oxofuran-2-yl]-2-oxo-1-tritylindol-3-yl]-2-methylpropane-2-sulfinamide
CID 139041849
(6R)-1-(2,4-dichlorophenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-one
CID 6976998
CID 162408532
CID 162408532
(1S)-7-chloro-1-phenyl-1,4-dihydroisochromen-3-one
CID 129404479
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841
(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
CID 132554346
(3R)-5-fluoro-3-hexanoyl-3-hydroxy-1-tritylindol-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione?
The IUPAC name of (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione (CID 132533710) is (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione.
What is the SMILES notation for (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione?
The canonical SMILES for (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione is O=C1C[C@@H](c2ccccc2)[C@]2(O1)C(=O)N(C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc12.
What is the InChIKey of (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione?
The InChIKey is KNCJWRRAPFOFHL-RYWJPUDZSA-N. The full InChI is InChI=1S/C36H26ClNO3/c37-29-21-22-32-31(23-29)36(30(24-33(39)41-36)25-13-5-1-6-14-25)34(40)38(32)35(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-23,30H,24H2/t30-,36+/m0/s1.
What are the key properties of (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione?
(3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione has a molecular weight of 556.06 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'S)-5-chloro-4'-phenyl-1-tritylspiro[indole-3,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 132533710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).