4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine

C40H44GeN2O — CID 172528313

IUPAC4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine
SMILESCC[Ge]1(CC)c2ccccc2-c2c(-c3cc(C(C)(C)C)ccn3)cc(Oc3cccc(-c4cc(C(C)(C)C)ccn4)c3)cc21
InChIInChI=1S/C40H44GeN2O/c1-9-41(10-2)34-17-12-11-16-32(34)38-33(37-24-29(19-21-43-37)40(6,7)8)25-31(26-35(38)41)44-30-15-13-14-27(22-30)36-23-28(18-20-42-36)39(3,4)5/h11-26H,9-10H2,1-8H3
InChIKeyMHMAPKCSEXAUKL-UHFFFAOYSA-N
MW641.42 g/mol
LogP9.78
Rot. Bonds6

About 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine

4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine (PubChem CID 172528313) has the molecular formula C40H44GeN2O and a molecular weight of 641.42 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine
PubChem CID172528313
Molecular FormulaC40H44GeN2O
Molecular Weight641.42 g/mol
Exact Mass642.27
IUPAC Name4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine
SMILESCC[Ge]1(CC)c2ccccc2-c2c(-c3cc(C(C)(C)C)ccn3)cc(Oc3cccc(-c4cc(C(C)(C)C)ccn4)c3)cc21
InChIInChI=1S/C40H44GeN2O/c1-9-41(10-2)34-17-12-11-16-32(34)38-33(37-24-29(19-21-43-37)40(6,7)8)25-31(26-35(38)41)44-30-15-13-14-27(22-30)36-23-28(18-20-42-36)39(3,4)5/h11-26H,9-10H2,1-8H3
InChIKeyMHMAPKCSEXAUKL-UHFFFAOYSA-N
XLogP9.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.42
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline
CID 153428997
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
1-[3-tert-butyl-5-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]oxyphenyl]isoquinoline
CID 153429141
5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771849
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
4-tert-butyl-2-(6-phenyldibenzothiophen-3-yl)pyridine
CID 166574277
4-tert-butyl-2-[4-[3-(5-tert-butyl-2-pyridinyl)phenoxy]-6,14-dioxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-2-yl]pyridine
CID 162777491
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 159029308
4-tert-butyl-2-[3-[5-(4-tert-butyl-2-pyridinyl)-2-phenylbenzene-6-id-1-yl]oxy-4-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153428858
2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
CID 167252790

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine?
The IUPAC name of 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine (CID 172528313) is 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine.
What is the SMILES notation for 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine?
The canonical SMILES for 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine is CC[Ge]1(CC)c2ccccc2-c2c(-c3cc(C(C)(C)C)ccn3)cc(Oc3cccc(-c4cc(C(C)(C)C)ccn4)c3)cc21.
What is the InChIKey of 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine?
The InChIKey is MHMAPKCSEXAUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44GeN2O/c1-9-41(10-2)34-17-12-11-16-32(34)38-33(37-24-29(19-21-43-37)40(6,7)8)25-31(26-35(38)41)44-30-15-13-14-27(22-30)36-23-28(18-20-42-36)39(3,4)5/h11-26H,9-10H2,1-8H3.
What are the key properties of 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine?
4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine has a molecular weight of 641.42 g/mol, XLogP of 9.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine is sourced from PubChem (CID 172528313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).