CID 177109850

C41H38GeIrN2OSi-2 — CID 177109850

IUPAC—
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cnc(-c2[c-]ccc3c2oc2cc4c(cc23)-c2ccccc2[Si]4(C)C)cc1C.[Ir]
InChIInChI=1S/C27H22NOSi.C14H16GeN.Ir/c1-16-12-23(28-15-17(16)2)20-10-7-9-19-21-13-22-18-8-5-6-11-25(18)30(3,4)26(22)14-24(21)29-27(19)20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-9,11-15H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyFBGOIGASVZMHHL-UHFFFAOYSA-N
MW867.68 g/mol
LogP8.96
Rot. Bonds3

About CID 177109850

CID 177109850 (PubChem CID 177109850) has the molecular formula C41H38GeIrN2OSi-2 and a molecular weight of 867.68 g/mol.

Molecular Properties

Compound NameCID 177109850
PubChem CID177109850
Molecular FormulaC41H38GeIrN2OSi-2
Molecular Weight867.68 g/mol
Exact Mass869.16
IUPAC Name—
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cnc(-c2[c-]ccc3c2oc2cc4c(cc23)-c2ccccc2[Si]4(C)C)cc1C.[Ir]
InChIInChI=1S/C27H22NOSi.C14H16GeN.Ir/c1-16-12-23(28-15-17(16)2)20-10-7-9-19-21-13-22-18-8-5-6-11-25(18)30(3,4)26(22)14-24(21)29-27(19)20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-9,11-15H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyFBGOIGASVZMHHL-UHFFFAOYSA-N
XLogP8.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.68
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 177109827
CID 177109827
CID 177109830
CID 177109830
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171730776
iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574116
CID 171748043
CID 171748043
2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171730805
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576727
iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577176
iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578041
4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4,5-dimethyl-2-phenylpyridine;iridium
CID 176851564
4,5-dimethyl-2-(2-methyl-8H-[1]benzothiolo[6,7-b][1]benzofuran-8-id-7-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 168829554
5-benzyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium
CID 162707093

Frequently Asked Questions

What is the IUPAC name of CID 177109850?
The IUPAC name of CID 177109850 (CID 177109850) is not available.
What is the SMILES notation for CID 177109850?
The canonical SMILES for CID 177109850 is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cnc(-c2[c-]ccc3c2oc2cc4c(cc23)-c2ccccc2[Si]4(C)C)cc1C.[Ir].
What is the InChIKey of CID 177109850?
The InChIKey is FBGOIGASVZMHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22NOSi.C14H16GeN.Ir/c1-16-12-23(28-15-17(16)2)20-10-7-9-19-21-13-22-18-8-5-6-11-25(18)30(3,4)26(22)14-24(21)29-27(19)20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-9,11-15H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of CID 177109850?
CID 177109850 has a molecular weight of 867.68 g/mol, XLogP of 8.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177109850 is sourced from PubChem (CID 177109850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).