iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid

C35H23IrN3O2-2 — CID 170514326

IUPACiridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1cccc([C@@]2(c3[c-]cccc3)c3ccccc3-c3cccnc32)n1
InChIInChI=1S/C29H18N2.C6H5NO2.Ir/c1-3-11-21(12-4-1)26-18-9-19-27(31-26)29(22-13-5-2-6-14-22)25-17-8-7-15-23(25)24-16-10-20-30-28(24)29;8-6(9)5-3-1-2-4-7-5;/h1-11,13,15-20H;1-4H,(H,8,9);/q-2;;/t29-;;/m1../s1
InChIKeyDNSIRJVFWZHIMQ-SYXKTQFYSA-N
MW709.81 g/mol
LogP6.88
Rot. Bonds4

About iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid

iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid (PubChem CID 170514326) has the molecular formula C35H23IrN3O2-2 and a molecular weight of 709.81 g/mol. Its IUPAC name is iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid
PubChem CID170514326
Molecular FormulaC35H23IrN3O2-2
Molecular Weight709.81 g/mol
Exact Mass710.14
IUPAC Nameiridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1cccc([C@@]2(c3[c-]cccc3)c3ccccc3-c3cccnc32)n1
InChIInChI=1S/C29H18N2.C6H5NO2.Ir/c1-3-11-21(12-4-1)26-18-9-19-27(31-26)29(22-13-5-2-6-14-22)25-17-8-7-15-23(25)24-16-10-20-30-28(24)29;8-6(9)5-3-1-2-4-7-5;/h1-11,13,15-20H;1-4H,(H,8,9);/q-2;;/t29-;;/m1../s1
InChIKeyDNSIRJVFWZHIMQ-SYXKTQFYSA-N
XLogP6.88
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.81
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(9R)-3,6-ditert-butyl-9-pyridin-2-yl-1H-fluoren-1-id-9-yl]-6-phenylpyridine;iridium;pyridine-2-carboxylic acid
CID 170514443
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
iridium;pentane-2,4-diol;(9S)-9-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)indeno[2,1-b]pyridine
CID 170514487
iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine
CID 170514414
iridium;2-(phenyliminomethyl)phenol;2-phenyl-6-[(9R)-9-pyridin-2-yl-1H-fluoren-1-id-9-yl]pyridine
CID 170514343
3,5-diphenyl-2-phenylpyrazine;iridium;pyridine-2-carboxylic acid
CID 58991422
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
iridium;1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole;6-phenylpyridine-2-carboxylic acid
CID 58898333
3,4-dimethyl-5-phenyl-1,2,4-triazole;iridium;pyridine-2-carboxylic acid
CID 58426416
benzene;iridium;pyridine-2-carboxylic acid
CID 175281168
2-[(9S)-4,6-ditert-butyl-9-(3-methyl-2H-imidazol-2-id-1-yl)-1H-fluoren-1-id-9-yl]-6-phenylpyridine;iridium(3+);pyridine-2-carboxylic acid
CID 170514354
spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256

Frequently Asked Questions

What is the IUPAC name of iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid?
The IUPAC name of iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid (CID 170514326) is iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid.
What is the SMILES notation for iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid?
The canonical SMILES for iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid is O=C(O)c1ccccn1.[Ir].[c-]1ccccc1-c1cccc([C@@]2(c3[c-]cccc3)c3ccccc3-c3cccnc32)n1.
What is the InChIKey of iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid?
The InChIKey is DNSIRJVFWZHIMQ-SYXKTQFYSA-N. The full InChI is InChI=1S/C29H18N2.C6H5NO2.Ir/c1-3-11-21(12-4-1)26-18-9-19-27(31-26)29(22-13-5-2-6-14-22)25-17-8-7-15-23(25)24-16-10-20-30-28(24)29;8-6(9)5-3-1-2-4-7-5;/h1-11,13,15-20H;1-4H,(H,8,9);/q-2;;/t29-;;/m1../s1.
What are the key properties of iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid?
iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid has a molecular weight of 709.81 g/mol, XLogP of 6.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid is sourced from PubChem (CID 170514326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).