CID 59359424

C37H23IrN4S- — CID 59359424

IUPAC—
SMILESCc1cc2c3ccc[c-]c3c3ncc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)c4)n3c2s1.[Ir]
InChIInChI=1S/C37H23N4S.Ir/c1-23-19-31-27-11-2-3-13-29(27)36-39-22-34(41(36)37(31)42-23)26-10-8-9-24(20-26)25-16-17-33-30(21-25)28-12-4-5-14-32(28)40(33)35-15-6-7-18-38-35;/h2-12,14-22H,1H3;/q-1;
InChIKeyXTFXNOKKNJRZGB-UHFFFAOYSA-N
MW747.90 g/mol
LogP9.63
Rot. Bonds3

About CID 59359424

CID 59359424 (PubChem CID 59359424) has the molecular formula C37H23IrN4S- and a molecular weight of 747.90 g/mol.

Molecular Properties

Compound NameCID 59359424
PubChem CID59359424
Molecular FormulaC37H23IrN4S-
Molecular Weight747.90 g/mol
Exact Mass748.13
IUPAC Name—
SMILESCc1cc2c3ccc[c-]c3c3ncc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)c4)n3c2s1.[Ir]
InChIInChI=1S/C37H23N4S.Ir/c1-23-19-31-27-11-2-3-13-29(27)36-39-22-34(41(36)37(31)42-23)26-10-8-9-24(20-26)25-16-17-33-30(21-25)28-12-4-5-14-32(28)40(33)35-15-6-7-18-38-35;/h2-12,14-22H,1H3;/q-1;
InChIKeyXTFXNOKKNJRZGB-UHFFFAOYSA-N
XLogP9.63
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.90
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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7-(7-(4-(4-Methylpiperazin-1-yl)phenyl)imidazo[1,2-a]pyridin-3-yl)thieno[3,2-b]pyridine
CID 56973448
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
CID 139326671
2-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)benzo[d]thiazole
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N-(2,6-dimethylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,5-a]pyrazin-8-amine;hydrochloride
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6-[(8-Fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
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7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[3,2-d]pyrimidine
CID 162659437
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Frequently Asked Questions

What is the IUPAC name of CID 59359424?
The IUPAC name of CID 59359424 (CID 59359424) is not available.
What is the SMILES notation for CID 59359424?
The canonical SMILES for CID 59359424 is Cc1cc2c3ccc[c-]c3c3ncc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)c4)n3c2s1.[Ir].
What is the InChIKey of CID 59359424?
The InChIKey is XTFXNOKKNJRZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N4S.Ir/c1-23-19-31-27-11-2-3-13-29(27)36-39-22-34(41(36)37(31)42-23)26-10-8-9-24(20-26)25-16-17-33-30(21-25)28-12-4-5-14-32(28)40(33)35-15-6-7-18-38-35;/h2-12,14-22H,1H3;/q-1;.
What are the key properties of CID 59359424?
CID 59359424 has a molecular weight of 747.90 g/mol, XLogP of 9.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59359424 is sourced from PubChem (CID 59359424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).