[2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane

C30H31GeNO — CID 168743775

IUPAC[2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane
SMILESCC(C)(C)c1cc(-c2cc(-c3cc4cc([Ge](C)(C)C)ccc4o3)ccn2)cc2ccccc12
InChIInChI=1S/C30H31GeNO/c1-30(2,3)26-17-22(15-20-9-7-8-10-25(20)26)27-18-21(13-14-32-27)29-19-23-16-24(31(4,5)6)11-12-28(23)33-29/h7-19H,1-6H3
InChIKeyCNDYCIXHLWVXFF-UHFFFAOYSA-N
MW494.19 g/mol
LogP8.16
Rot. Bonds3

About [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane

[2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane (PubChem CID 168743775) has the molecular formula C30H31GeNO and a molecular weight of 494.19 g/mol. Its IUPAC name is [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane.

Molecular Properties

Compound Name[2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane
PubChem CID168743775
Molecular FormulaC30H31GeNO
Molecular Weight494.19 g/mol
Exact Mass495.16
IUPAC Name[2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane
SMILESCC(C)(C)c1cc(-c2cc(-c3cc4cc([Ge](C)(C)C)ccc4o3)ccn2)cc2ccccc12
InChIInChI=1S/C30H31GeNO/c1-30(2,3)26-17-22(15-20-9-7-8-10-25(20)26)27-18-21(13-14-32-27)29-19-23-16-24(31(4,5)6)11-12-28(23)33-29/h7-19H,1-6H3
InChIKeyCNDYCIXHLWVXFF-UHFFFAOYSA-N
XLogP8.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.19
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]phenyl]-trimethylgermane
CID 171764449
4-(1-benzofuran-2-yl)-6-(4-tert-butylnaphthalen-2-yl)pyrimidine
CID 171741463
[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[2,3-c]pyridin-6-yl]-trimethylgermane
CID 166018616
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
3-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]furo[3,2-b]pyridine
CID 171741540
6-(1-benzofuran-2-yl)-1-(4-tert-butylnaphthalen-2-yl)-7,7-dimethylcyclopenta[c]pyridine
CID 170545651
[4-[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-3-methylphenyl]-trimethylgermane
CID 171764411
5-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-2-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole
CID 156665435
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylgermane
CID 171764285
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylfuro[2,3-c]pyridin-2-yl]phenyl]-trimethylgermane
CID 168743416
[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridin-7-yl]-trimethylgermane
CID 171747954

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane?
The IUPAC name of [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane (CID 168743775) is [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane.
What is the SMILES notation for [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane?
The canonical SMILES for [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane is CC(C)(C)c1cc(-c2cc(-c3cc4cc([Ge](C)(C)C)ccc4o3)ccn2)cc2ccccc12.
What is the InChIKey of [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane?
The InChIKey is CNDYCIXHLWVXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31GeNO/c1-30(2,3)26-17-22(15-20-9-7-8-10-25(20)26)27-18-21(13-14-32-27)29-19-23-16-24(31(4,5)6)11-12-28(23)33-29/h7-19H,1-6H3.
What are the key properties of [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane?
[2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane has a molecular weight of 494.19 g/mol, XLogP of 8.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1-benzofuran-5-yl]-trimethylgermane is sourced from PubChem (CID 168743775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).