iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

C46H40GeIrN2O-2 — CID 166578041

IUPACiridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2oc2ccc(-c4cccc(-c5ccccc5)c4)cc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C32H24NO.C14H16GeN.Ir/c1-21(2)23-16-17-33-30(20-23)28-13-7-12-27-29-19-26(14-15-31(29)34-32(27)28)25-11-6-10-24(18-25)22-8-4-3-5-9-22;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-12,14-21H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyTXZGVFYJQSESNA-UHFFFAOYSA-N
MW901.67 g/mol
LogP12.00
Rot. Bonds6

About iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166578041) has the molecular formula C46H40GeIrN2O-2 and a molecular weight of 901.67 g/mol. Its IUPAC name is iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Nameiridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID166578041
Molecular FormulaC46H40GeIrN2O-2
Molecular Weight901.67 g/mol
Exact Mass903.20
IUPAC Nameiridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2oc2ccc(-c4cccc(-c5ccccc5)c4)cc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C32H24NO.C14H16GeN.Ir/c1-21(2)23-16-17-33-30(20-23)28-13-7-12-27-29-19-26(14-15-31(29)34-32(27)28)25-11-6-10-24(18-25)22-8-4-3-5-9-22;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-12,14-21H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyTXZGVFYJQSESNA-UHFFFAOYSA-N
XLogP12.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.67
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578500
4-(2-deuteriopropan-2-yl)-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575190
iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166574889
iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;2-phenyl-4-(5-trimethylgermyl-2-pyridinyl)benzene-5-ide-1-carboperoxoic acid
CID 166578916
4-[cyclohexyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577703
CID 171748043
CID 171748043
CID 166588083
CID 166588083
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166573960
iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166577258
iridium;2-(8-phenyl-6-propan-2-yl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578157
iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 155612009
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171730776

Frequently Asked Questions

What is the IUPAC name of iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166578041) is iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccc(-c4cccc(-c5ccccc5)c4)cc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is TXZGVFYJQSESNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24NO.C14H16GeN.Ir/c1-21(2)23-16-17-33-30(20-23)28-13-7-12-27-29-19-26(14-15-31(29)34-32(27)28)25-11-6-10-24(18-25)22-8-4-3-5-9-22;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-12,14-21H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 901.67 g/mol, XLogP of 12.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166578041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).