CID 156671011

C37H37IrN5OSi-2 — CID 156671011

IUPAC—
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C)c2c(n1)oc1c(-c3nc4ccccc4n3C(C)(C)C)[c-]cnc12.[Ir]
InChIInChI=1S/C23H21N4O.C14H16NSi.Ir/c1-13-12-14(2)25-22-18(13)19-20(28-22)15(10-11-24-19)21-26-16-8-6-7-9-17(16)27(21)23(3,4)5;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-9,11-12H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyLZSUAKVTNPZJDF-UHFFFAOYSA-N
MW788.04 g/mol
LogP8.66
Rot. Bonds3

About CID 156671011

CID 156671011 (PubChem CID 156671011) has the molecular formula C37H37IrN5OSi-2 and a molecular weight of 788.04 g/mol.

Molecular Properties

Compound NameCID 156671011
PubChem CID156671011
Molecular FormulaC37H37IrN5OSi-2
Molecular Weight788.04 g/mol
Exact Mass788.24
IUPAC Name—
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C)c2c(n1)oc1c(-c3nc4ccccc4n3C(C)(C)C)[c-]cnc12.[Ir]
InChIInChI=1S/C23H21N4O.C14H16NSi.Ir/c1-13-12-14(2)25-22-18(13)19-20(28-22)15(10-11-24-19)21-26-16-8-6-7-9-17(16)27(21)23(3,4)5;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-9,11-12H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyLZSUAKVTNPZJDF-UHFFFAOYSA-N
XLogP8.66
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.04
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 156671822
CID 156671822
2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658191
CID 156670207
CID 156670207
iridium;2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670299
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156670468
6-(1-tert-butylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672335
iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156657863
CID 162498211
CID 162498211
8-(1-dibenzothiophen-3-ylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156667765
8-(1-tert-butylbenzimidazol-2-yl)-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156671913
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156658093
1-[2,6-di(butan-2-yl)-4-methylphenyl]-2-phenylbenzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]silane
CID 170531912

Frequently Asked Questions

What is the IUPAC name of CID 156671011?
The IUPAC name of CID 156671011 (CID 156671011) is not available.
What is the SMILES notation for CID 156671011?
The canonical SMILES for CID 156671011 is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C)c2c(n1)oc1c(-c3nc4ccccc4n3C(C)(C)C)[c-]cnc12.[Ir].
What is the InChIKey of CID 156671011?
The InChIKey is LZSUAKVTNPZJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N4O.C14H16NSi.Ir/c1-13-12-14(2)25-22-18(13)19-20(28-22)15(10-11-24-19)21-26-16-8-6-7-9-17(16)27(21)23(3,4)5;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-9,11-12H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of CID 156671011?
CID 156671011 has a molecular weight of 788.04 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156671011 is sourced from PubChem (CID 156671011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).