CID 171748043

C46H38GeIrN2O-2 — CID 171748043

IUPAC—
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc4c5ccccc5c5ccccc5c4cc23)c1.[Ir]
InChIInChI=1S/C32H22NO.C14H16GeN.Ir/c1-19(2)20-14-15-33-30(16-20)26-13-7-12-25-29-17-27-23-10-5-3-8-21(23)22-9-4-6-11-24(22)28(27)18-31(29)34-32(25)26;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-12,14-19H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i19D;;
InChIKeyRGPZRNRGTGDKJE-XYBMBZJXSA-N
MW900.66 g/mol
LogP12.12
Rot. Bonds4

About CID 171748043

CID 171748043 (PubChem CID 171748043) has the molecular formula C46H38GeIrN2O-2 and a molecular weight of 900.66 g/mol.

Molecular Properties

Compound NameCID 171748043
PubChem CID171748043
Molecular FormulaC46H38GeIrN2O-2
Molecular Weight900.66 g/mol
Exact Mass902.19
IUPAC Name—
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc4c5ccccc5c5ccccc5c4cc23)c1.[Ir]
InChIInChI=1S/C32H22NO.C14H16GeN.Ir/c1-19(2)20-14-15-33-30(16-20)26-13-7-12-25-29-17-27-23-10-5-3-8-21(23)22-9-4-6-11-24(22)28(27)18-31(29)34-32(25)26;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-12,14-19H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i19D;;
InChIKeyRGPZRNRGTGDKJE-XYBMBZJXSA-N
XLogP12.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.66
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 166588083
CID 166588083
CID 164846151
CID 164846151
iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578041
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
4-(2-deuteriopropan-2-yl)-2-[7-[3-(trideuteriomethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166575328
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;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
4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164712552
4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164711632
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-phenyl-5-propan-2-ylpyridine
CID 164798098
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
8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164712519

Frequently Asked Questions

What is the IUPAC name of CID 171748043?
The IUPAC name of CID 171748043 (CID 171748043) is not available.
What is the SMILES notation for CID 171748043?
The canonical SMILES for CID 171748043 is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc4c5ccccc5c5ccccc5c4cc23)c1.[Ir].
What is the InChIKey of CID 171748043?
The InChIKey is RGPZRNRGTGDKJE-XYBMBZJXSA-N. The full InChI is InChI=1S/C32H22NO.C14H16GeN.Ir/c1-19(2)20-14-15-33-30(16-20)26-13-7-12-25-29-17-27-23-10-5-3-8-21(23)22-9-4-6-11-24(22)28(27)18-31(29)34-32(25)26;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-12,14-19H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i19D;;.
What are the key properties of CID 171748043?
CID 171748043 has a molecular weight of 900.66 g/mol, XLogP of 12.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171748043 is sourced from PubChem (CID 171748043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).