11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform

C35H37Cl3N2O2Si — CID 162013985

IUPAC11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)C=Cc1ccccc1N2.ClC(Cl)Cl.Oc1ccc2c(c1)C=Cc1ccccc1N2
InChIInChI=1S/C20H25NOSi.C14H11NO.CHCl3/c1-20(2,3)23(4,5)22-17-12-13-19-16(14-17)11-10-15-8-6-7-9-18(15)21-19;16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14;2-1(3)4/h6-14,21H,1-5H3;1-9,15-16H;1H
InChIKeyYTVWPDMGWCVWPD-UHFFFAOYSA-N
MW652.14 g/mol
LogP11.90
Rot. Bonds2

About 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform

11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform (PubChem CID 162013985) has the molecular formula C35H37Cl3N2O2Si and a molecular weight of 652.14 g/mol. Its IUPAC name is 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform.

Molecular Properties

Compound Name11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform
PubChem CID162013985
Molecular FormulaC35H37Cl3N2O2Si
Molecular Weight652.14 g/mol
Exact Mass650.17
IUPAC Name11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)C=Cc1ccccc1N2.ClC(Cl)Cl.Oc1ccc2c(c1)C=Cc1ccccc1N2
InChIInChI=1S/C20H25NOSi.C14H11NO.CHCl3/c1-20(2,3)23(4,5)22-17-12-13-19-16(14-17)11-10-15-8-6-7-9-18(15)21-19;16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14;2-1(3)4/h6-14,21H,1-5H3;1-9,15-16H;1H
InChIKeyYTVWPDMGWCVWPD-UHFFFAOYSA-N
XLogP11.90
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.14
LogP ≤ 511.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane
CID 125363160
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl-dimethyl-(7-phenylnaphthalen-2-yl)oxysilane
CID 166439727
tert-butyl-chloro-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde;3-hydroxybenzaldehyde
CID 160501049
3-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]propan-1-ol
CID 175118299
3-[tert-butyl(dimethyl)silyl]oxy-9-ethynylfluoren-9-ol
CID 132581894
3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
CID 58833573
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol
CID 91727610
(R)-(3-bromophenyl)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 129403833

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform?
The IUPAC name of 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform (CID 162013985) is 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform.
What is the SMILES notation for 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform?
The canonical SMILES for 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)C=Cc1ccccc1N2.ClC(Cl)Cl.Oc1ccc2c(c1)C=Cc1ccccc1N2.
What is the InChIKey of 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform?
The InChIKey is YTVWPDMGWCVWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOSi.C14H11NO.CHCl3/c1-20(2,3)23(4,5)22-17-12-13-19-16(14-17)11-10-15-8-6-7-9-18(15)21-19;16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15-14;2-1(3)4/h6-14,21H,1-5H3;1-9,15-16H;1H.
What are the key properties of 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform?
11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform has a molecular weight of 652.14 g/mol, XLogP of 11.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[b][1]benzazepin-3-ol;11H-benzo[b][1]benzazepin-3-yloxy-tert-butyl-dimethylsilane;chloroform is sourced from PubChem (CID 162013985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).