8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one

C39H49N3O3 — CID 121291615

IUPAC8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one
SMILESCC1(C)CC(C)(C)c2ccc(OCCN3CCCC3)c(c2)C2(C(=O)Nc3ccccc32)c2cc1ccc2OCCN1CCCC1
InChIInChI=1S/C39H49N3O3/c1-37(2)27-38(3,4)29-14-16-35(45-24-22-42-19-9-10-20-42)32(26-29)39(30-11-5-6-12-33(30)40-36(39)43)31-25-28(37)13-15-34(31)44-23-21-41-17-7-8-18-41/h5-6,11-16,25-26H,7-10,17-24,27H2,1-4H3,(H,40,43)
InChIKeyXWUOTWDKZCFVMA-UHFFFAOYSA-N
MW607.84 g/mol
LogP6.88
Rot. Bonds8

About 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one

8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one (PubChem CID 121291615) has the molecular formula C39H49N3O3 and a molecular weight of 607.84 g/mol. Its IUPAC name is 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one.

Molecular Properties

Compound Name8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one
PubChem CID121291615
Molecular FormulaC39H49N3O3
Molecular Weight607.84 g/mol
Exact Mass607.38
IUPAC Name8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one
SMILESCC1(C)CC(C)(C)c2ccc(OCCN3CCCC3)c(c2)C2(C(=O)Nc3ccccc32)c2cc1ccc2OCCN1CCCC1
InChIInChI=1S/C39H49N3O3/c1-37(2)27-38(3,4)29-14-16-35(45-24-22-42-19-9-10-20-42)32(26-29)39(30-11-5-6-12-33(30)40-36(39)43)31-25-28(37)13-15-34(31)44-23-21-41-17-7-8-18-41/h5-6,11-16,25-26H,7-10,17-24,27H2,1-4H3,(H,40,43)
InChIKeyXWUOTWDKZCFVMA-UHFFFAOYSA-N
XLogP6.88
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.84
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one with MolForge

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Related Compounds

(3S)-3-[5-tert-butyl-2-(2-hydroxyethoxy)phenyl]-3-(5-tert-butyl-2-hydroxyphenyl)-1H-indol-2-one
CID 124680440
3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-(5-tert-butyl-2-hydroxyphenyl)-1H-indol-2-one
CID 121289608
2,2-dimethyl-5-[[2-(2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599807
3-[5-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)triazol-4-yl]methoxy]phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one
CID 90089269
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
magnesium;3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-1H-indol-2-one;4-tert-butylphenol;4-[2-(4-tert-butylphenoxy)ethyl]morpholine;3-[4-(dimethylamino)phenyl]-3-hydroxy-1H-indol-2-one;N,N-dimethylaniline;1H-indole-2,3-dione;2-morpholin-4-ylethanol;oxolane;bromide
CID 159832406
3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
CID 82056047
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732

Frequently Asked Questions

What is the IUPAC name of 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one?
The IUPAC name of 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one (CID 121291615) is 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one.
What is the SMILES notation for 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one?
The canonical SMILES for 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one is CC1(C)CC(C)(C)c2ccc(OCCN3CCCC3)c(c2)C2(C(=O)Nc3ccccc32)c2cc1ccc2OCCN1CCCC1.
What is the InChIKey of 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one?
The InChIKey is XWUOTWDKZCFVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H49N3O3/c1-37(2)27-38(3,4)29-14-16-35(45-24-22-42-19-9-10-20-42)32(26-29)39(30-11-5-6-12-33(30)40-36(39)43)31-25-28(37)13-15-34(31)44-23-21-41-17-7-8-18-41/h5-6,11-16,25-26H,7-10,17-24,27H2,1-4H3,(H,40,43).
What are the key properties of 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one?
8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one has a molecular weight of 607.84 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8',8',10',10'-tetramethyl-4',14'-bis(2-pyrrolidin-1-ylethoxy)spiro[1H-indole-3,2'-tricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene]-2-one is sourced from PubChem (CID 121291615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).