CID 156655630

C35H19IrNOPS2- — CID 156655630

IUPAC—
SMILESO=P12c3cc4ccccc4cc3Sc3[c-]c(-c4ccc5ccccc5n4)cc(c31)Sc1cc3ccccc3cc12.[Ir]
InChIInChI=1S/C35H19NOPS2.Ir/c37-38-29-15-22-8-1-3-10-24(22)17-31(29)39-33-19-26(28-14-13-21-7-5-6-12-27(21)36-28)20-34(35(33)38)40-32-18-25-11-4-2-9-23(25)16-30(32)38;/h1-19H;/q-1;
InChIKeyOGGARSPJIKNSTP-UHFFFAOYSA-N
MW756.87 g/mol
LogP8.57
Rot. Bonds1

About CID 156655630

CID 156655630 (PubChem CID 156655630) has the molecular formula C35H19IrNOPS2- and a molecular weight of 756.87 g/mol.

Molecular Properties

Compound NameCID 156655630
PubChem CID156655630
Molecular FormulaC35H19IrNOPS2-
Molecular Weight756.87 g/mol
Exact Mass757.03
IUPAC Name—
SMILESO=P12c3cc4ccccc4cc3Sc3[c-]c(-c4ccc5ccccc5n4)cc(c31)Sc1cc3ccccc3cc12.[Ir]
InChIInChI=1S/C35H19NOPS2.Ir/c37-38-29-15-22-8-1-3-10-24(22)17-31(29)39-33-19-26(28-14-13-21-7-5-6-12-27(21)36-28)20-34(35(33)38)40-32-18-25-11-4-2-9-23(25)16-30(32)38;/h1-19H;/q-1;
InChIKeyOGGARSPJIKNSTP-UHFFFAOYSA-N
XLogP8.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 156655562
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iridium;tris(2-phenylquinoline)
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2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
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2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
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2-(5-iodothiophen-2-yl)quinoline
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CID 156655657
CID 156655657

Frequently Asked Questions

What is the IUPAC name of CID 156655630?
The IUPAC name of CID 156655630 (CID 156655630) is not available.
What is the SMILES notation for CID 156655630?
The canonical SMILES for CID 156655630 is O=P12c3cc4ccccc4cc3Sc3[c-]c(-c4ccc5ccccc5n4)cc(c31)Sc1cc3ccccc3cc12.[Ir].
What is the InChIKey of CID 156655630?
The InChIKey is OGGARSPJIKNSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19NOPS2.Ir/c37-38-29-15-22-8-1-3-10-24(22)17-31(29)39-33-19-26(28-14-13-21-7-5-6-12-27(21)36-28)20-34(35(33)38)40-32-18-25-11-4-2-9-23(25)16-30(32)38;/h1-19H;/q-1;.
What are the key properties of CID 156655630?
CID 156655630 has a molecular weight of 756.87 g/mol, XLogP of 8.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156655630 is sourced from PubChem (CID 156655630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).