CID 23635323

C27H34CoNO3Si2 — CID 23635323

IUPAC—
SMILESC[Si](C)(C)[C]1[CH][C]2CCN3C(=O)c4cc5c(cc4[C@@H]([C]1[Si](C)(C)C)[C@@H]23)OCO5.[CH]1[CH][CH][CH][CH]1.[Co]
InChIInChI=1S/C22H29NO3Si2.C5H5.Co/c1-27(2,3)18-9-13-7-8-23-20(13)19(21(18)28(4,5)6)14-10-16-17(26-12-25-16)11-15(14)22(23)24;1-2-4-5-3-1;/h9-11,19-20H,7-8,12H2,1-6H3;1-5H;/t19-,20-;;/m1../s1
InChIKeyOPIHLPHJPBGRNV-WUMQWIPTSA-N
MW535.68 g/mol
LogP5.44
Rot. Bonds2

About CID 23635323

CID 23635323 (PubChem CID 23635323) has the molecular formula C27H34CoNO3Si2 and a molecular weight of 535.68 g/mol.

Molecular Properties

Compound NameCID 23635323
PubChem CID23635323
Molecular FormulaC27H34CoNO3Si2
Molecular Weight535.68 g/mol
Exact Mass535.14
IUPAC Name—
SMILESC[Si](C)(C)[C]1[CH][C]2CCN3C(=O)c4cc5c(cc4[C@@H]([C]1[Si](C)(C)C)[C@@H]23)OCO5.[CH]1[CH][CH][CH][CH]1.[Co]
InChIInChI=1S/C22H29NO3Si2.C5H5.Co/c1-27(2,3)18-9-13-7-8-23-20(13)19(21(18)28(4,5)6)14-10-16-17(26-12-25-16)11-15(14)22(23)24;1-2-4-5-3-1;/h9-11,19-20H,7-8,12H2,1-6H3;1-5H;/t19-,20-;;/m1../s1
InChIKeyOPIHLPHJPBGRNV-WUMQWIPTSA-N
XLogP5.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.68
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S,15R,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,17-tetraen-11-one
CID 25111741
2,12,14-trioxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-8-one
CID 11776141
(1S,18S,19S)-18-methyl-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-one
CID 58417947
19-hydroxy-5,7,17-trioxa-12-azahexacyclo[10.7.1.02,10.04,8.015,20.016,18]icosa-2,4(8),9-trien-11-one
CID 3847867
9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
CID 580552
[(1S,17S,18R)-18-acetyloxy-11-oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate
CID 90662654
(2S,9S,10S)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one;hydrobromide
CID 154730606
(5R)-5-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-5H-furo[3,4-f][1,3]benzodioxol-7-one
CID 11728284
(2S,3S,9S,10R)-9-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
CID 162653943
(2R,3R,9S,10R)-9-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
CID 6571569
(1R,12S)-20-[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-11,19-dione
CID 45027831
(1S,18S,19S)-18-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-one;yttrium
CID 58417945

Frequently Asked Questions

What is the IUPAC name of CID 23635323?
The IUPAC name of CID 23635323 (CID 23635323) is not available.
What is the SMILES notation for CID 23635323?
The canonical SMILES for CID 23635323 is C[Si](C)(C)[C]1[CH][C]2CCN3C(=O)c4cc5c(cc4[C@@H]([C]1[Si](C)(C)C)[C@@H]23)OCO5.[CH]1[CH][CH][CH][CH]1.[Co].
What is the InChIKey of CID 23635323?
The InChIKey is OPIHLPHJPBGRNV-WUMQWIPTSA-N. The full InChI is InChI=1S/C22H29NO3Si2.C5H5.Co/c1-27(2,3)18-9-13-7-8-23-20(13)19(21(18)28(4,5)6)14-10-16-17(26-12-25-16)11-15(14)22(23)24;1-2-4-5-3-1;/h9-11,19-20H,7-8,12H2,1-6H3;1-5H;/t19-,20-;;/m1../s1.
What are the key properties of CID 23635323?
CID 23635323 has a molecular weight of 535.68 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23635323 is sourced from PubChem (CID 23635323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).