trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane

C34H31GeNO — CID 168743718

IUPACtrimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1-c1ccc([Ge](C)(C)C)cc1C([2H])([2H])[2H]
InChIInChI=1S/C34H31GeNO/c1-22-19-25(35(3,4)5)17-18-26(22)31-20-32(36-21-23(31)2)30-16-10-15-29-28-14-9-13-27(33(28)37-34(29)30)24-11-7-6-8-12-24/h6-21H,1-5H3/i1D3,2D3
InChIKeyCAPJNVWCHZVSIU-WFGJKAKNSA-N
MW548.27 g/mol
LogP9.14
Rot. Bonds6

About trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane

trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane (PubChem CID 168743718) has the molecular formula C34H31GeNO and a molecular weight of 548.27 g/mol. Its IUPAC name is trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane.

Molecular Properties

Compound Nametrimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane
PubChem CID168743718
Molecular FormulaC34H31GeNO
Molecular Weight548.27 g/mol
Exact Mass549.20
IUPAC Nametrimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane
SMILES[2H]C([2H])([2H])c1cnc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1-c1ccc([Ge](C)(C)C)cc1C([2H])([2H])[2H]
InChIInChI=1S/C34H31GeNO/c1-22-19-25(35(3,4)5)17-18-26(22)31-20-32(36-21-23(31)2)30-16-10-15-29-28-14-9-13-27(33(28)37-34(29)30)24-11-7-6-8-12-24/h6-21H,1-5H3/i1D3,2D3
InChIKeyCAPJNVWCHZVSIU-WFGJKAKNSA-N
XLogP9.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.27
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031
2-dibenzofuran-4-yl-4-[4-fluoro-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridine
CID 159938299
trimethyl-[4-[2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]silane
CID 157408157
4-[4-[4-(1-deuteriocyclopentyl)-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157360237
4-[4-[4-(1-deuteriocyclopentyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 158314441
4-[4-(3-methylpentan-3-yl)-2-(trideuteriomethyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)pyridine
CID 157144601
4-[4-[2-deuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-6-phenyldibenzofuran-1-carbonitrile
CID 169301488
2-(1-fluorodibenzofuran-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine
CID 162708001
trimethyl-[[2-naphtho[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)-4-pyridinyl]methyl]silane
CID 171724015
[3-deuterio-4-[2-phenanthro[1,2-b][1]benzofuran-10-yl-5-(trideuteriomethyl)-4-pyridinyl]-5-(trideuteriomethyl)phenyl]-trimethylsilane
CID 170546286
2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4,5-bis(trideuteriomethyl)pyridine
CID 153450230
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane?
The IUPAC name of trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane (CID 168743718) is trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane.
What is the SMILES notation for trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane?
The canonical SMILES for trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane is [2H]C([2H])([2H])c1cnc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1-c1ccc([Ge](C)(C)C)cc1C([2H])([2H])[2H].
What is the InChIKey of trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane?
The InChIKey is CAPJNVWCHZVSIU-WFGJKAKNSA-N. The full InChI is InChI=1S/C34H31GeNO/c1-22-19-25(35(3,4)5)17-18-26(22)31-20-32(36-21-23(31)2)30-16-10-15-29-28-14-9-13-27(33(28)37-34(29)30)24-11-7-6-8-12-24/h6-21H,1-5H3/i1D3,2D3.
What are the key properties of trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane?
trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane has a molecular weight of 548.27 g/mol, XLogP of 9.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[2-(6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)-4-pyridinyl]-3-(trideuteriomethyl)phenyl]germane is sourced from PubChem (CID 168743718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).