[1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane

C30H33GeNS — CID 171746672

IUPAC[1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane
SMILESCc1ccc2cc(-c3nccc4c3sc3c(C)c([Ge](C)(C)C)ccc34)cc(C(C)(C)C)c2c1
InChIInChI=1S/C30H33GeNS/c1-18-9-10-20-16-21(17-25(24(20)15-18)30(3,4)5)27-29-23(13-14-32-27)22-11-12-26(31(6,7)8)19(2)28(22)33-29/h9-17H,1-8H3
InChIKeyKDGJERGWCDHBHJ-UHFFFAOYSA-N
MW512.28 g/mol
LogP8.73
Rot. Bonds2

About [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane

[1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane (PubChem CID 171746672) has the molecular formula C30H33GeNS and a molecular weight of 512.28 g/mol. Its IUPAC name is [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane.

Molecular Properties

Compound Name[1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane
PubChem CID171746672
Molecular FormulaC30H33GeNS
Molecular Weight512.28 g/mol
Exact Mass513.15
IUPAC Name[1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane
SMILESCc1ccc2cc(-c3nccc4c3sc3c(C)c([Ge](C)(C)C)ccc34)cc(C(C)(C)C)c2c1
InChIInChI=1S/C30H33GeNS/c1-18-9-10-20-16-21(17-25(24(20)15-18)30(3,4)5)27-29-23(13-14-32-27)22-11-12-26(31(6,7)8)19(2)28(22)33-29/h9-17H,1-8H3
InChIKeyKDGJERGWCDHBHJ-UHFFFAOYSA-N
XLogP8.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.28
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[2,3-c]pyridine
CID 168852902
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
1-(4-tert-butylnaphthalen-2-yl)-8-fluoro-7-(2,4,6-trimethylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 168736875
1-(4-tert-butylnaphthalen-2-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 168852879
1-(4-tert-butylnaphthalen-2-yl)-7-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-8-methyl-[1]benzothiolo[2,3-c]pyridine
CID 169302104
15-(4-tert-butylnaphthalen-2-yl)-4-(2-methylpropyl)-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 154599278
1-(4-tert-butylnaphthalen-2-yl)-8-(3-methylpentan-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 154599505
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
1-(4-tert-butylnaphthalen-2-yl)-7-methyl-[1]benzothiolo[3,2-c]pyridine
CID 171764358
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
CID 170566811
7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine
CID 172542957
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane
CID 170566810

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane?
The IUPAC name of [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane (CID 171746672) is [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane.
What is the SMILES notation for [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane?
The canonical SMILES for [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane is Cc1ccc2cc(-c3nccc4c3sc3c(C)c([Ge](C)(C)C)ccc34)cc(C(C)(C)C)c2c1.
What is the InChIKey of [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane?
The InChIKey is KDGJERGWCDHBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33GeNS/c1-18-9-10-20-16-21(17-25(24(20)15-18)30(3,4)5)27-29-23(13-14-32-27)22-11-12-26(31(6,7)8)19(2)28(22)33-29/h9-17H,1-8H3.
What are the key properties of [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane?
[1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane has a molecular weight of 512.28 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butyl-6-methylnaphthalen-2-yl)-8-methyl-[1]benzothiolo[2,3-c]pyridin-7-yl]-trimethylgermane is sourced from PubChem (CID 171746672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).