CID 177109842

C40H36Ge2IrN2O-2 — CID 177109842

IUPAC—
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]ccc3c2oc2c4c(ccc23)-c2ccccc2[Ge]4(C)C)c1.[Ir]
InChIInChI=1S/C26H20GeNO.C14H16GeN.Ir/c1-16-13-14-28-23(15-16)21-9-6-8-19-20-12-11-18-17-7-4-5-10-22(17)27(2,3)24(18)26(20)29-25(19)21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-8,10-15H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyGXANIECZZUTQGW-UHFFFAOYSA-N
MW898.18 g/mol
LogP8.65
Rot. Bonds3

About CID 177109842

CID 177109842 (PubChem CID 177109842) has the molecular formula C40H36Ge2IrN2O-2 and a molecular weight of 898.18 g/mol.

Molecular Properties

Compound NameCID 177109842
PubChem CID177109842
Molecular FormulaC40H36Ge2IrN2O-2
Molecular Weight898.18 g/mol
Exact Mass901.09
IUPAC Name—
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]ccc3c2oc2c4c(ccc23)-c2ccccc2[Ge]4(C)C)c1.[Ir]
InChIInChI=1S/C26H20GeNO.C14H16GeN.Ir/c1-16-13-14-28-23(15-16)21-9-6-8-19-20-12-11-18-17-7-4-5-10-22(17)27(2,3)24(18)26(20)29-25(19)21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-8,10-15H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyGXANIECZZUTQGW-UHFFFAOYSA-N
XLogP8.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.18
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 177109842 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574116
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
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
CID 166588083
CID 166588083
CID 164846151
CID 164846151
8-(4-tert-butyl-2-pyridinyl)-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 164712344
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-phenyl-5-propan-2-ylpyridine
CID 164798098
CID 171748043
CID 171748043
2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;4-methyl-2-phenylpyridine
CID 164798094
tris(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158275223
iridium;2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578041
CID 177109850
CID 177109850

Frequently Asked Questions

What is the IUPAC name of CID 177109842?
The IUPAC name of CID 177109842 (CID 177109842) is not available.
What is the SMILES notation for CID 177109842?
The canonical SMILES for CID 177109842 is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]ccc3c2oc2c4c(ccc23)-c2ccccc2[Ge]4(C)C)c1.[Ir].
What is the InChIKey of CID 177109842?
The InChIKey is GXANIECZZUTQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20GeNO.C14H16GeN.Ir/c1-16-13-14-28-23(15-16)21-9-6-8-19-20-12-11-18-17-7-4-5-10-22(17)27(2,3)24(18)26(20)29-25(19)21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h4-8,10-15H,1-3H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of CID 177109842?
CID 177109842 has a molecular weight of 898.18 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177109842 is sourced from PubChem (CID 177109842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).