CID 169291829

C40H34GeIrN2S2-2 — CID 169291829

IUPAC—
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]c3sc4ccccc4c3c3c2sc2ccccc23)c1.[Ir]
InChIInChI=1S/C26H18NS2.C14H16GeN.Ir/c1-15(2)16-11-12-27-20(13-16)19-14-23-24(17-7-3-5-9-21(17)28-23)25-18-8-4-6-10-22(18)29-26(19)25;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-13,15H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i15D;;
InChIKeyUDEQESMOEADFHP-BSRYWEDOSA-N
MW872.69 g/mol
LogP11.50
Rot. Bonds4

About CID 169291829

CID 169291829 (PubChem CID 169291829) has the molecular formula C40H34GeIrN2S2-2 and a molecular weight of 872.69 g/mol.

Molecular Properties

Compound NameCID 169291829
PubChem CID169291829
Molecular FormulaC40H34GeIrN2S2-2
Molecular Weight872.69 g/mol
Exact Mass874.11
IUPAC Name—
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]c3sc4ccccc4c3c3c2sc2ccccc23)c1.[Ir]
InChIInChI=1S/C26H18NS2.C14H16GeN.Ir/c1-15(2)16-11-12-27-20(13-16)19-14-23-24(17-7-3-5-9-21(17)28-23)25-18-8-4-6-10-22(18)29-26(19)25;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-13,15H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i15D;;
InChIKeyUDEQESMOEADFHP-BSRYWEDOSA-N
XLogP11.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.69
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 169291829 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

CID 169291878
CID 169291878
CID 169291881
CID 169291881
iridium;4-phenyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578543
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574006
4-(2-deuteriopropan-2-yl)-2-[7-(2-methylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 165170595
4-(2-deuteriopropan-2-yl)-2-(3H-dibenzothiophen-3-id-4-yl)-5-fluoropyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 164712996
4-(2-deuteriopropan-2-yl)-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 165170677
4-(2-deuteriopropan-2-yl)-2-(3-fluoro-9H-naphtho[1,2-b][1]benzothiol-9-id-10-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 165171532
CID 166588083
CID 166588083
CID 171748043
CID 171748043
CID 164846151
CID 164846151
[4-[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-7H-dibenzothiophen-7-id-3-yl]phenyl]-trimethylgermane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577315

Frequently Asked Questions

What is the IUPAC name of CID 169291829?
The IUPAC name of CID 169291829 (CID 169291829) is not available.
What is the SMILES notation for CID 169291829?
The canonical SMILES for CID 169291829 is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C(C)(C)c1ccnc(-c2[c-]c3sc4ccccc4c3c3c2sc2ccccc23)c1.[Ir].
What is the InChIKey of CID 169291829?
The InChIKey is UDEQESMOEADFHP-BSRYWEDOSA-N. The full InChI is InChI=1S/C26H18NS2.C14H16GeN.Ir/c1-15(2)16-11-12-27-20(13-16)19-14-23-24(17-7-3-5-9-21(17)28-23)25-18-8-4-6-10-22(18)29-26(19)25;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-13,15H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i15D;;.
What are the key properties of CID 169291829?
CID 169291829 has a molecular weight of 872.69 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169291829 is sourced from PubChem (CID 169291829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).