2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane

C26H31Cl2NOSi — CID 170550472

IUPAC2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cn1ccc2c(OCc3ccccc3)cc(Cl)c(Cl)c21)(C(C)C)C(C)C
InChIInChI=1S/C26H31Cl2NOSi/c1-18(2)31(19(3)4,20(5)6)15-14-29-13-12-22-24(16-23(27)25(28)26(22)29)30-17-21-10-8-7-9-11-21/h7-13,16,18-20H,17H2,1-6H3
InChIKeyRCOFVBHBMSJNAW-UHFFFAOYSA-N
MW472.53 g/mol
LogP8.55
Rot. Bonds6

About 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane

2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 170550472) has the molecular formula C26H31Cl2NOSi and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID170550472
Molecular FormulaC26H31Cl2NOSi
Molecular Weight472.53 g/mol
Exact Mass471.16
IUPAC Name2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cn1ccc2c(OCc3ccccc3)cc(Cl)c(Cl)c21)(C(C)C)C(C)C
InChIInChI=1S/C26H31Cl2NOSi/c1-18(2)31(19(3)4,20(5)6)15-14-29-13-12-22-24(16-23(27)25(28)26(22)29)30-17-21-10-8-7-9-11-21/h7-13,16,18-20H,17H2,1-6H3
InChIKeyRCOFVBHBMSJNAW-UHFFFAOYSA-N
XLogP8.55
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-{3-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-propoxy}-1H-indole
CID 10296101
Benzyl-[2-(7-chloro-1H-indol-4-yloxy)-ethyl]-amine
CID 9839319
N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine
CID 11792052
1-[2-Chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-methoxyindole
CID 15767437
2-(4-(4-chlorobenzyloxy)-1-ethyl-6-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 50997041
7-chloro-1-[3-fluoro-4-(methyloxy)phenyl]-4-(methyloxy)-1H-indole
CID 59627926
4-(4-Chloro-3-fluorophenoxy)-1-methylindole
CID 66917800
4-(3-Chloro-4-fluorophenoxy)-1-methylindole
CID 66917826
4-(4-Chloro-2-fluorophenoxy)-1-methylindole
CID 66918006
1-[4-chloro-5-fluoro-2-(1-methylindol-4-yl)oxyphenyl]-N-methylmethanamine
CID 69630716
2-[4-Chloro-5-fluoro-2-(1-methylindol-4-yl)oxyphenyl]ethanamine
CID 69630718
[1-[1-[5-Chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethyl]indol-4-yl] hydrogen carbonate
CID 129068959

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane (CID 170550472) is 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cn1ccc2c(OCc3ccccc3)cc(Cl)c(Cl)c21)(C(C)C)C(C)C.
What is the InChIKey of 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is RCOFVBHBMSJNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2NOSi/c1-18(2)31(19(3)4,20(5)6)15-14-29-13-12-22-24(16-23(27)25(28)26(22)29)30-17-21-10-8-7-9-11-21/h7-13,16,18-20H,17H2,1-6H3.
What are the key properties of 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane?
2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 472.53 g/mol, XLogP of 8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 170550472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).