CID 59359375

C32H20IrN3S- — CID 59359375

IUPAC—
SMILES[Ir].[c-]1csc2c1c1nc(Cc3ccc4c(c3)c3ccccc3n4-c3ccccc3)cn1c1ccccc21
InChIInChI=1S/C32H20N3S.Ir/c1-2-8-23(9-3-1)35-29-13-7-4-10-24(29)27-19-21(14-15-30(27)35)18-22-20-34-28-12-6-5-11-25(28)31-26(16-17-36-31)32(34)33-22;/h1-15,17,19-20H,18H2;/q-1;
InChIKeyBQKFCRMMQVGGMT-UHFFFAOYSA-N
MW670.82 g/mol
LogP8.19
Rot. Bonds3

About CID 59359375

CID 59359375 (PubChem CID 59359375) has the molecular formula C32H20IrN3S- and a molecular weight of 670.82 g/mol.

Molecular Properties

Compound NameCID 59359375
PubChem CID59359375
Molecular FormulaC32H20IrN3S-
Molecular Weight670.82 g/mol
Exact Mass671.10
IUPAC Name—
SMILES[Ir].[c-]1csc2c1c1nc(Cc3ccc4c(c3)c3ccccc3n4-c3ccccc3)cn1c1ccccc21
InChIInChI=1S/C32H20N3S.Ir/c1-2-8-23(9-3-1)35-29-13-7-4-10-24(29)27-19-21(14-15-30(27)35)18-22-20-34-28-12-6-5-11-25(28)31-26(16-17-36-31)32(34)33-22;/h1-15,17,19-20H,18H2;/q-1;
InChIKeyBQKFCRMMQVGGMT-UHFFFAOYSA-N
XLogP8.19
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.82
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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6-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155544174
6-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
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8-(Indol-1-yl)-6-methyl-3-phenethylthiomethylimidazo[1,2-a]pyridine
CID 44588706
6-(1H-indol-5-yl)-8-methyl-3-(phenethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 44588981
6-(Indol-1-yl)-8-methyl-3-phenethylthiomethylimidazo[1,2-a]pyridine
CID 44589032
3,8-Bis(1-methylindol-5-yl)imidazo[1,2-a]pyrazine
CID 164626351
7-[(4-Fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline
CID 9802129
7-[(3-Fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline
CID 23388846
CID 59358661
CID 59358661
CID 59358710
CID 59358710

Frequently Asked Questions

What is the IUPAC name of CID 59359375?
The IUPAC name of CID 59359375 (CID 59359375) is not available.
What is the SMILES notation for CID 59359375?
The canonical SMILES for CID 59359375 is [Ir].[c-]1csc2c1c1nc(Cc3ccc4c(c3)c3ccccc3n4-c3ccccc3)cn1c1ccccc21.
What is the InChIKey of CID 59359375?
The InChIKey is BQKFCRMMQVGGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N3S.Ir/c1-2-8-23(9-3-1)35-29-13-7-4-10-24(29)27-19-21(14-15-30(27)35)18-22-20-34-28-12-6-5-11-25(28)31-26(16-17-36-31)32(34)33-22;/h1-15,17,19-20H,18H2;/q-1;.
What are the key properties of CID 59359375?
CID 59359375 has a molecular weight of 670.82 g/mol, XLogP of 8.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59359375 is sourced from PubChem (CID 59359375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).