CID 66834617

C32H40NO7Si — CID 66834617

IUPAC—
SMILESC[Si](C)OC([C@@H]1OC(C)(C)O[C@@H]1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(=O)O)ccc3c1C2=O)C(C)(C)C
InChIInChI=1S/C32H40NO7Si/c1-30(2,3)28(40-41(8)9)26-23(38-32(6,7)39-26)16-37-18-11-13-19-21(15-18)31(4,5)27-24(25(19)34)20-12-10-17(29(35)36)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3,(H,35,36)/t23-,26-,28?/m1/s1
InChIKeyKPMJSONJSLPFNT-ONCFSFCTSA-N
MW578.76 g/mol
LogP6.32
Rot. Bonds7

About CID 66834617

CID 66834617 (PubChem CID 66834617) has the molecular formula C32H40NO7Si and a molecular weight of 578.76 g/mol.

Molecular Properties

Compound NameCID 66834617
PubChem CID66834617
Molecular FormulaC32H40NO7Si
Molecular Weight578.76 g/mol
Exact Mass578.26
IUPAC Name—
SMILESC[Si](C)OC([C@@H]1OC(C)(C)O[C@@H]1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(=O)O)ccc3c1C2=O)C(C)(C)C
InChIInChI=1S/C32H40NO7Si/c1-30(2,3)28(40-41(8)9)26-23(38-32(6,7)39-26)16-37-18-11-13-19-21(15-18)31(4,5)27-24(25(19)34)20-12-10-17(29(35)36)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3,(H,35,36)/t23-,26-,28?/m1/s1
InChIKeyKPMJSONJSLPFNT-ONCFSFCTSA-N
XLogP6.32
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 66834618
CID 66834618
CID 66834660
CID 66834660
3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid
CID 70193767
ethyl 2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetate
CID 70194810
tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethyl]carbamate
CID 70195542
1-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethyl]piperidine-4-carboxylic acid
CID 142767150
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-3-sulfanyl-5H-benzo[b]carbazol-11-one
CID 118670145
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66833887
4-[(3-bromo-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]piperidine-1-carboxylic acid
CID 118658648
3-bromo-6,6-dimethyl-8-[[1-(1-methylazetidin-3-yl)piperidin-4-yl]methoxy]-5H-benzo[b]carbazol-11-one
CID 118670084
[8-(3-hydroxypropoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl] N-phenylcarbamate
CID 167193025
8-[(2S)-2,3-dihydroxypropoxy]-6,6-dimethyl-3-thiophen-2-yl-5H-benzo[b]carbazol-11-one
CID 66835002

Frequently Asked Questions

What is the IUPAC name of CID 66834617?
The IUPAC name of CID 66834617 (CID 66834617) is not available.
What is the SMILES notation for CID 66834617?
The canonical SMILES for CID 66834617 is C[Si](C)OC([C@@H]1OC(C)(C)O[C@@H]1COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C(=O)O)ccc3c1C2=O)C(C)(C)C.
What is the InChIKey of CID 66834617?
The InChIKey is KPMJSONJSLPFNT-ONCFSFCTSA-N. The full InChI is InChI=1S/C32H40NO7Si/c1-30(2,3)28(40-41(8)9)26-23(38-32(6,7)39-26)16-37-18-11-13-19-21(15-18)31(4,5)27-24(25(19)34)20-12-10-17(29(35)36)14-22(20)33-27/h10-15,23,26,28,33H,16H2,1-9H3,(H,35,36)/t23-,26-,28?/m1/s1.
What are the key properties of CID 66834617?
CID 66834617 has a molecular weight of 578.76 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66834617 is sourced from PubChem (CID 66834617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).