[6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane

C30H31F3N2SSi — CID 177286090

IUPAC[6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane
SMILESCc1ccc2cc(-c3ncc(C(F)(F)F)c4c3sc3cc(CC(C)(C)C)ccc34)cc([Si](C)(C)C)c2n1
InChIInChI=1S/C30H31F3N2SSi/c1-17-8-10-19-13-20(14-24(26(19)35-17)37(5,6)7)27-28-25(22(16-34-27)30(31,32)33)21-11-9-18(12-23(21)36-28)15-29(2,3)4/h8-14,16H,15H2,1-7H3
InChIKeyBNPZTYKCAHBYKF-UHFFFAOYSA-N
MW536.74 g/mol
LogP9.13
Rot. Bonds3

About [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane

[6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane (PubChem CID 177286090) has the molecular formula C30H31F3N2SSi and a molecular weight of 536.74 g/mol. Its IUPAC name is [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane.

Molecular Properties

Compound Name[6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane
PubChem CID177286090
Molecular FormulaC30H31F3N2SSi
Molecular Weight536.74 g/mol
Exact Mass536.19
IUPAC Name[6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane
SMILESCc1ccc2cc(-c3ncc(C(F)(F)F)c4c3sc3cc(CC(C)(C)C)ccc34)cc([Si](C)(C)C)c2n1
InChIInChI=1S/C30H31F3N2SSi/c1-17-8-10-19-13-20(14-24(26(19)35-17)37(5,6)7)27-28-25(22(16-34-27)30(31,32)33)21-11-9-18(12-23(21)36-28)15-29(2,3)4/h8-14,16H,15H2,1-7H3
InChIKeyBNPZTYKCAHBYKF-UHFFFAOYSA-N
XLogP9.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.74
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(2,2-dimethylpropyl)-4-(2-methyl-8-propan-2-ylquinolin-6-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177286120
7-(2,2-dimethylpropyl)-1-(4-fluoronaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridine-4-carbonitrile
CID 177073375
[3-[7-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]-tri(propan-2-yl)silane
CID 176855199
15-(3,5-dimethylphenyl)-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 164783128
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;[7-(2,2-dimethylpropyl)-1-(7-methyl-4-trimethylsilyl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[2,3-c]pyridin-4-yl]-trimethylsilane;iridium
CID 176855299
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;7-(2,2-dimethylpropyl)-4-(2-methyl-8-propan-2-yl-5H-quinolin-5-id-6-yl)-[1]benzothiolo[3,2-d]pyrimidine;iridium
CID 177286119
8-chloro-17-(2,2-dimethylpropyl)-10,20-dithia-7-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 155269249
[6-(7-tert-butyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-8-methylnaphthalen-2-yl]-trimethylsilane
CID 176855201
[3-[7-(2,2-difluoroethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]-triethylsilane
CID 176623417
6-(4-deuterio-6,7-dimethylnaphthalen-2-yl)-12-(2,2-dimethylpropyl)-8,16-dithia-3,5-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 176865351
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropyl)benzo[f]isoquinoline
CID 156787409
15-chloro-6-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 164939692

Frequently Asked Questions

What is the IUPAC name of [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane?
The IUPAC name of [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane (CID 177286090) is [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane.
What is the SMILES notation for [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane?
The canonical SMILES for [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane is Cc1ccc2cc(-c3ncc(C(F)(F)F)c4c3sc3cc(CC(C)(C)C)ccc34)cc([Si](C)(C)C)c2n1.
What is the InChIKey of [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane?
The InChIKey is BNPZTYKCAHBYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N2SSi/c1-17-8-10-19-13-20(14-24(26(19)35-17)37(5,6)7)27-28-25(22(16-34-27)30(31,32)33)21-11-9-18(12-23(21)36-28)15-29(2,3)4/h8-14,16H,15H2,1-7H3.
What are the key properties of [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane?
[6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane has a molecular weight of 536.74 g/mol, XLogP of 9.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[7-(2,2-dimethylpropyl)-4-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridin-1-yl]-2-methylquinolin-8-yl]-trimethylsilane is sourced from PubChem (CID 177286090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).