iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline

C32H23IrN3-2 — CID 58421059

IUPACiridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline
SMILESCc1cccc(-c2[c-]cccc2)n1.[Ir].[c-]1ccccc1-c1cc(-c2ccc3ccccc3n2)ccn1
InChIInChI=1S/C20H13N2.C12H10N.Ir/c1-2-6-15(7-3-1)20-14-17(12-13-21-20)19-11-10-16-8-4-5-9-18(16)22-19;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;/h1-6,8-14H;2-7,9H,1H3;/q2*-1;
InChIKeyWPEMXJQRJOWHGP-UHFFFAOYSA-N
MW641.77 g/mol
LogP7.62
Rot. Bonds3

About iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline

iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline (PubChem CID 58421059) has the molecular formula C32H23IrN3-2 and a molecular weight of 641.77 g/mol. Its IUPAC name is iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline.

Molecular Properties

Compound Nameiridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline
PubChem CID58421059
Molecular FormulaC32H23IrN3-2
Molecular Weight641.77 g/mol
Exact Mass642.15
IUPAC Nameiridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline
SMILESCc1cccc(-c2[c-]cccc2)n1.[Ir].[c-]1ccccc1-c1cc(-c2ccc3ccccc3n2)ccn1
InChIInChI=1S/C20H13N2.C12H10N.Ir/c1-2-6-15(7-3-1)20-14-17(12-13-21-20)19-11-10-16-8-4-5-9-18(16)22-19;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;/h1-6,8-14H;2-7,9H,1H3;/q2*-1;
InChIKeyWPEMXJQRJOWHGP-UHFFFAOYSA-N
XLogP7.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Latrepirdine
CID 197033
Decussine
CID 156336
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
6,6'-Biquinoline
CID 620711
2-[(E)-2-pyridin-3-ylethenyl]quinoline
CID 5376707
Isocryptolepine
CID 380925
Usambarensine
CID 5281413
2-(2-Pyridinyl)quinoline
CID 609911
4-(4-Methylpiperazino)-2-(4-pyridyl)quinoline
CID 453071
4'-(1H-indol-3-yl)-1'-methyl-1',4'-dihydro-2,3'-biquinoline
CID 3392688
3-(1H-indol-3-yl)quinoline
CID 10243546

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline?
The IUPAC name of iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline (CID 58421059) is iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline.
What is the SMILES notation for iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline?
The canonical SMILES for iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline is Cc1cccc(-c2[c-]cccc2)n1.[Ir].[c-]1ccccc1-c1cc(-c2ccc3ccccc3n2)ccn1.
What is the InChIKey of iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline?
The InChIKey is WPEMXJQRJOWHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N2.C12H10N.Ir/c1-2-6-15(7-3-1)20-14-17(12-13-21-20)19-11-10-16-8-4-5-9-18(16)22-19;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;/h1-6,8-14H;2-7,9H,1H3;/q2*-1;.
What are the key properties of iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline?
iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline has a molecular weight of 641.77 g/mol, XLogP of 7.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoline is sourced from PubChem (CID 58421059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).