CID 162707324

C60H46GeIrNO — CID 162707324

IUPAC—
SMILES[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4ccc5ccccc5c4cc23)cc1-c1ccccc1.[2H]C([2H])(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)[c-]cc1[Ge](C)(C)C.[Ir+3]
InChIInChI=1S/C32H20NO.C28H26Ge.Ir/c1-20-19-33-30(18-27(20)21-8-3-2-4-9-21)26-13-7-12-25-29-17-28-23(16-31(29)34-32(25)26)15-14-22-10-5-6-11-24(22)28;1-29(2,3)28-18-17-26(21-27(28)19-22-11-6-4-7-12-22)25-16-10-15-24(20-25)23-13-8-5-9-14-23;/h2-12,14-19H,1H3;4-15,18,20-21H,19H2,1-3H3;/q-1;-2;+3/i1D3;19D2;
InChIKeyQKZRADXCDMQOBP-YVZHUJSLSA-N
MW1066.89 g/mol
LogP15.48
Rot. Bonds8

About CID 162707324

CID 162707324 (PubChem CID 162707324) has the molecular formula C60H46GeIrNO and a molecular weight of 1066.89 g/mol.

Molecular Properties

Compound NameCID 162707324
PubChem CID162707324
Molecular FormulaC60H46GeIrNO
Molecular Weight1066.89 g/mol
Exact Mass1068.27
IUPAC Name—
SMILES[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4ccc5ccccc5c4cc23)cc1-c1ccccc1.[2H]C([2H])(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)[c-]cc1[Ge](C)(C)C.[Ir+3]
InChIInChI=1S/C32H20NO.C28H26Ge.Ir/c1-20-19-33-30(18-27(20)21-8-3-2-4-9-21)26-13-7-12-25-29-17-28-23(16-31(29)34-32(25)26)15-14-22-10-5-6-11-24(22)28;1-29(2,3)28-18-17-26(21-27(28)19-22-11-6-4-7-12-22)25-16-10-15-24(20-25)23-13-8-5-9-14-23;/h2-12,14-19H,1H3;4-15,18,20-21H,19H2,1-3H3;/q-1;-2;+3/i1D3;19D2;
InChIKeyQKZRADXCDMQOBP-YVZHUJSLSA-N
XLogP15.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.89
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 162707324 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 162708613
CID 162708613
[4-[dideuterio(phenyl)methyl]-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;5-fluoro-8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 177279398
CID 158865459
CID 158865459
CID 162452675
CID 162452675
4-[dideuterio(phenyl)methyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-10-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
CID 162708845
4-[dideuterio(phenyl)methyl]-2-[3-(4-fluorophenyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;iridium;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine
CID 162710409
2-(3H-dibenzofuran-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 156621826
2-(3H-dibenzofuran-3-id-4-yl)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 156621854
4-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;5-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium
CID 162452702
CID 177102473
CID 177102473
CID 176623932
CID 176623932
4-(deuteriomethyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;iridium
CID 162454588

Frequently Asked Questions

What is the IUPAC name of CID 162707324?
The IUPAC name of CID 162707324 (CID 162707324) is not available.
What is the SMILES notation for CID 162707324?
The canonical SMILES for CID 162707324 is [2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc4ccc5ccccc5c4cc23)cc1-c1ccccc1.[2H]C([2H])(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)[c-]cc1[Ge](C)(C)C.[Ir+3].
What is the InChIKey of CID 162707324?
The InChIKey is QKZRADXCDMQOBP-YVZHUJSLSA-N. The full InChI is InChI=1S/C32H20NO.C28H26Ge.Ir/c1-20-19-33-30(18-27(20)21-8-3-2-4-9-21)26-13-7-12-25-29-17-28-23(16-31(29)34-32(25)26)15-14-22-10-5-6-11-24(22)28;1-29(2,3)28-18-17-26(21-27(28)19-22-11-6-4-7-12-22)25-16-10-15-24(20-25)23-13-8-5-9-14-23;/h2-12,14-19H,1H3;4-15,18,20-21H,19H2,1-3H3;/q-1;-2;+3/i1D3;19D2;.
What are the key properties of CID 162707324?
CID 162707324 has a molecular weight of 1066.89 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162707324 is sourced from PubChem (CID 162707324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).