CID 156655622

C24H18IrN4P- — CID 156655622

IUPAC—
SMILESCN1c2[c-]c(-c3cnccn3)cc3c2P(c2ccccc21)c1ccccc1N3C.[Ir]
InChIInChI=1S/C24H18N4P.Ir/c1-27-18-7-3-5-9-22(18)29-23-10-6-4-8-19(23)28(2)21-14-16(13-20(27)24(21)29)17-15-25-11-12-26-17;/h3-13,15H,1-2H3;/q-1;
InChIKeyXSNHGUJPKDPVFO-UHFFFAOYSA-N
MW585.63 g/mol
LogP3.86
Rot. Bonds1

About CID 156655622

CID 156655622 (PubChem CID 156655622) has the molecular formula C24H18IrN4P- and a molecular weight of 585.63 g/mol.

Molecular Properties

Compound NameCID 156655622
PubChem CID156655622
Molecular FormulaC24H18IrN4P-
Molecular Weight585.63 g/mol
Exact Mass586.09
IUPAC Name—
SMILESCN1c2[c-]c(-c3cnccn3)cc3c2P(c2ccccc21)c1ccccc1N3C.[Ir]
InChIInChI=1S/C24H18N4P.Ir/c1-27-18-7-3-5-9-22(18)29-23-10-6-4-8-19(23)28(2)21-14-16(13-20(27)24(21)29)17-15-25-11-12-26-17;/h3-13,15H,1-2H3;/q-1;
InChIKeyXSNHGUJPKDPVFO-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.63
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 156655622?
The IUPAC name of CID 156655622 (CID 156655622) is not available.
What is the SMILES notation for CID 156655622?
The canonical SMILES for CID 156655622 is CN1c2[c-]c(-c3cnccn3)cc3c2P(c2ccccc21)c1ccccc1N3C.[Ir].
What is the InChIKey of CID 156655622?
The InChIKey is XSNHGUJPKDPVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4P.Ir/c1-27-18-7-3-5-9-22(18)29-23-10-6-4-8-19(23)28(2)21-14-16(13-20(27)24(21)29)17-15-25-11-12-26-17;/h3-13,15H,1-2H3;/q-1;.
What are the key properties of CID 156655622?
CID 156655622 has a molecular weight of 585.63 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156655622 is sourced from PubChem (CID 156655622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).