[4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane

C25H40ClNO3Si3 — CID 91697107

IUPAC[4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1ccc(C2CNCCc3c2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3Cl)cc1
InChIInChI=1S/C25H40ClNO3Si3/c1-31(2,3)28-19-12-10-18(11-13-19)22-17-27-15-14-20-21(22)16-23(29-32(4,5)6)25(24(20)26)30-33(7,8)9/h10-13,16,22,27H,14-15,17H2,1-9H3
InChIKeyGIKJDDCIQQOGDO-UHFFFAOYSA-N
MW522.31 g/mol
LogP7.26
Rot. Bonds7

About [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane

[4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane (PubChem CID 91697107) has the molecular formula C25H40ClNO3Si3 and a molecular weight of 522.31 g/mol. Its IUPAC name is [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane
PubChem CID91697107
Molecular FormulaC25H40ClNO3Si3
Molecular Weight522.31 g/mol
Exact Mass521.20
IUPAC Name[4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1ccc(C2CNCCc3c2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3Cl)cc1
InChIInChI=1S/C25H40ClNO3Si3/c1-31(2,3)28-19-12-10-18(11-13-19)22-17-27-15-14-20-21(22)16-23(29-32(4,5)6)25(24(20)26)30-33(7,8)9/h10-13,16,22,27H,14-15,17H2,1-9H3
InChIKeyGIKJDDCIQQOGDO-UHFFFAOYSA-N
XLogP7.26
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.31
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane 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

trimethyl-(4-piperidin-4-ylphenoxy)silane
CID 167737433
7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 20529912
trimethyl-[4-[(2S)-piperidin-2-yl]phenoxy]silane
CID 171195003
4-(9-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)-N,N-dimethylbenzenesulfonamide;hydrobromide
CID 12790377
(5R)-9-chloro-7-N,8-N-diethyl-5-[4-(ethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-dicarboxamide;hydrochloride
CID 70373387
6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 617484
4-(10-chloro-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-5-yl)benzenesulfonyl chloride;2,2,2-trifluoroacetamide
CID 88721900
piperidin-4-yl-(4-trimethylsilyloxyphenyl)methanone
CID 167722571
9-fluoro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
CID 12833518
4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63631151
(6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane
CID 167733189
9-chloro-2,2,4,4-tetradeuterio-5-(4-hydroxyphenyl)-8-methoxy-3,5-dihydro-1H-3-benzazepin-7-ol
CID 169443410

Frequently Asked Questions

What is the IUPAC name of [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane?
The IUPAC name of [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane (CID 91697107) is [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane.
What is the SMILES notation for [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane?
The canonical SMILES for [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane is C[Si](C)(C)Oc1ccc(C2CNCCc3c2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3Cl)cc1.
What is the InChIKey of [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane?
The InChIKey is GIKJDDCIQQOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40ClNO3Si3/c1-31(2,3)28-19-12-10-18(11-13-19)22-17-27-15-14-20-21(22)16-23(29-32(4,5)6)25(24(20)26)30-33(7,8)9/h10-13,16,22,27H,14-15,17H2,1-9H3.
What are the key properties of [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane?
[4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane has a molecular weight of 522.31 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-chloro-7,8-bis(trimethylsilyloxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]phenoxy]-trimethylsilane is sourced from PubChem (CID 91697107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).