tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane

C29H41NO2SSi — CID 57258756

IUPACtri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane
SMILESCC(C)[Si](Oc1ccc2cc(-c3ccc(OCCN4CCCC4)cc3)sc2c1)(C(C)C)C(C)C
InChIInChI=1S/C29H41NO2SSi/c1-21(2)34(22(3)4,23(5)6)32-27-14-11-25-19-28(33-29(25)20-27)24-9-12-26(13-10-24)31-18-17-30-15-7-8-16-30/h9-14,19-23H,7-8,15-18H2,1-6H3
InChIKeyYFTWZKLKHOEYTO-UHFFFAOYSA-N
MW495.81 g/mol
LogP8.60
Rot. Bonds10

About tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane

tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane (PubChem CID 57258756) has the molecular formula C29H41NO2SSi and a molecular weight of 495.81 g/mol. Its IUPAC name is tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane
PubChem CID57258756
Molecular FormulaC29H41NO2SSi
Molecular Weight495.81 g/mol
Exact Mass495.26
IUPAC Nametri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane
SMILESCC(C)[Si](Oc1ccc2cc(-c3ccc(OCCN4CCCC4)cc3)sc2c1)(C(C)C)C(C)C
InChIInChI=1S/C29H41NO2SSi/c1-21(2)34(22(3)4,23(5)6)32-27-14-11-25-19-28(33-29(25)20-27)24-9-12-26(13-10-24)31-18-17-30-15-7-8-16-30/h9-14,19-23H,7-8,15-18H2,1-6H3
InChIKeyYFTWZKLKHOEYTO-UHFFFAOYSA-N
XLogP8.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.81
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-7-ol
CID 21182904
2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1-benzothiophen-6-ol
CID 56976087
6-(2-piperidin-1-ylethoxy)-14-tri(propan-2-yl)silyloxy-10-[4-tri(propan-2-yl)silyloxyphenyl]-11-thiatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one
CID 10865641
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
5-[4-(2-piperidin-1-ylethoxy)phenyl]dithiole-3-thione;hydrochloride
CID 46837995
5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine
CID 121335035
1-[2-[4-[3-(1-benzothiophen-2-yl)-4-methoxyphenoxy]phenoxy]ethyl]piperidine
CID 139728772
2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophen-6-ol
CID 57052258
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
3-methyl-6-propan-2-yloxy-N,2-bis[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-4-amine
CID 23287767
1-[2-[4-[5-(1-benzothiophen-2-yl)-2-methoxy-4-propan-2-yloxyphenoxy]phenoxy]ethyl]piperidine;hydrochloride
CID 139728773
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane?
The IUPAC name of tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane (CID 57258756) is tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane?
The canonical SMILES for tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane is CC(C)[Si](Oc1ccc2cc(-c3ccc(OCCN4CCCC4)cc3)sc2c1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane?
The InChIKey is YFTWZKLKHOEYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO2SSi/c1-21(2)34(22(3)4,23(5)6)32-27-14-11-25-19-28(33-29(25)20-27)24-9-12-26(13-10-24)31-18-17-30-15-7-8-16-30/h9-14,19-23H,7-8,15-18H2,1-6H3.
What are the key properties of tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane?
tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane has a molecular weight of 495.81 g/mol, XLogP of 8.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-yl]oxy]silane is sourced from PubChem (CID 57258756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).