[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane

C27H31GeN — CID 164792226

IUPAC[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane
SMILES[2H]C([2H])(c1cc(-c2ccc3c(ccc4ccccc43)c2)ncc1[Ge](C)(C)C)C(C)(C)C
InChIInChI=1S/C27H31GeN/c1-27(2,3)17-22-16-26(29-18-25(22)28(4,5)6)21-13-14-24-20(15-21)12-11-19-9-7-8-10-23(19)24/h7-16,18H,17H2,1-6H3/i17D2
InChIKeyLYOVZWUQMCVEQN-FBCWWBABSA-N
MW444.17 g/mol
LogP7.19
Rot. Bonds3

About [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane (PubChem CID 164792226) has the molecular formula C27H31GeN and a molecular weight of 444.17 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane.

Molecular Properties

Compound Name[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane
PubChem CID164792226
Molecular FormulaC27H31GeN
Molecular Weight444.17 g/mol
Exact Mass445.18
IUPAC Name[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane
SMILES[2H]C([2H])(c1cc(-c2ccc3c(ccc4ccccc43)c2)ncc1[Ge](C)(C)C)C(C)(C)C
InChIInChI=1S/C27H31GeN/c1-27(2,3)17-22-16-26(29-18-25(22)28(4,5)6)21-13-14-24-20(15-21)12-11-19-9-7-8-10-23(19)24/h7-16,18H,17H2,1-6H3/i17D2
InChIKeyLYOVZWUQMCVEQN-FBCWWBABSA-N
XLogP7.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.17
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane
CID 155611934
3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline
CID 167355345
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-pyridin-3-yl-3-pyridinyl]-trimethylgermane
CID 169038628
3-phenanthren-3-ylbenzo[h]isoquinoline
CID 59470233
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 155612262
trimethyl-(6-phenanthren-2-yl-3-pyridinyl)silane
CID 164792219
2-naphthalen-2-ylbenzo[f]isoquinoline
CID 59470192
[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 156658626
[2-(4-tert-butylnaphthalen-2-yl)-5-methyl-4-pyridinyl]-trimethylgermane
CID 177122651
8-[1-(4-tert-butylphenyl)naphtho[2,1-e]benzimidazol-2-yl]-9H-[1]benzothiolo[2,3-c]isoquinolin-9-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 176644436
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane?
The IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane (CID 164792226) is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane.
What is the SMILES notation for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane?
The canonical SMILES for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane is [2H]C([2H])(c1cc(-c2ccc3c(ccc4ccccc43)c2)ncc1[Ge](C)(C)C)C(C)(C)C.
What is the InChIKey of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane?
The InChIKey is LYOVZWUQMCVEQN-FBCWWBABSA-N. The full InChI is InChI=1S/C27H31GeN/c1-27(2,3)17-22-16-26(29-18-25(22)28(4,5)6)21-13-14-24-20(15-21)12-11-19-9-7-8-10-23(19)24/h7-16,18H,17H2,1-6H3/i17D2.
What are the key properties of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane?
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane has a molecular weight of 444.17 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane is sourced from PubChem (CID 164792226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).