iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine

C43H28IrN7 — CID 59307536

IUPACiridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine
SMILES[Ir+3].[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C16H10N3.C11H8N.Ir/c2*1-2-8-13-12(6-1)7-5-11-16(13)19-17-14-9-3-4-10-15(14)18-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2*1-10H;1-6,8-9H;/q3*-1;+3
InChIKeyUEDAFWBNGKFZOM-UHFFFAOYSA-N
MW834.96 g/mol
LogP9.29
Rot. Bonds3

About iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine

iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine (PubChem CID 59307536) has the molecular formula C43H28IrN7 and a molecular weight of 834.96 g/mol. Its IUPAC name is iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine.

Molecular Properties

Compound Nameiridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine
PubChem CID59307536
Molecular FormulaC43H28IrN7
Molecular Weight834.96 g/mol
Exact Mass835.20
IUPAC Nameiridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine
SMILES[Ir+3].[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C16H10N3.C11H8N.Ir/c2*1-2-8-13-12(6-1)7-5-11-16(13)19-17-14-9-3-4-10-15(14)18-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2*1-10H;1-6,8-9H;/q3*-1;+3
InChIKeyUEDAFWBNGKFZOM-UHFFFAOYSA-N
XLogP9.29
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.96
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Iridium;2-phenyl-3-phenylquinoxaline;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58184866
iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine;bis(1,1,1-trifluoroethane)
CID 160729220
1-(2-Phenyl-5,6,7,8-tetrahydroindolizin-8-yl)benzotriazole
CID 4438999
1-(2,5-Diphenyl-3-pyridin-3-yl-3,4-dihydropyrazol-4-yl)benzotriazole
CID 85403165
1,2-Bis{4-[(9h-carbazol-9-yl)methyl]-1h-1,2,3-triazol-1-yl}ethane
CID 134693593
13,16-Diphenyl-10,11,14,15-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene
CID 327711
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;iridium;bis(1-methyl-3-(2H-naphthalen-2-id-1-yl)-2H-benzimidazol-1-ium-2-ide)
CID 57738157
iridium;bis(1-methyl-3-(2H-naphthalen-2-id-1-yl)-2H-benzimidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine
CID 57738250
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;iridium;bis(1-methyl-3-(10H-phenanthren-10-id-9-yl)-2H-benzimidazol-1-ium-2-ide)
CID 57738270
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;iridium;bis(1-methyl-3-(10H-phenanthren-10-id-9-yl)-2H-imidazol-1-ium-2-ide)
CID 57738402
2-[3-(10-Phenylanthracen-9-yl)phenyl]-4-pyridin-2-yl-7-pyridin-3-ylbenzotriazole
CID 58050309
2-[4-(10-Phenylanthracen-9-yl)phenyl]-5-pyridin-3-ylbenzotriazole
CID 58050314

Frequently Asked Questions

What is the IUPAC name of iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine?
The IUPAC name of iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine (CID 59307536) is iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine.
What is the SMILES notation for iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine?
The canonical SMILES for iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine is [Ir+3].[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine?
The InChIKey is UEDAFWBNGKFZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10N3.C11H8N.Ir/c2*1-2-8-13-12(6-1)7-5-11-16(13)19-17-14-9-3-4-10-15(14)18-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2*1-10H;1-6,8-9H;/q3*-1;+3.
What are the key properties of iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine?
iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine has a molecular weight of 834.96 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);bis(2-(2H-naphthalen-2-id-1-yl)benzotriazole);2-phenylpyridine is sourced from PubChem (CID 59307536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).