5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)

C39H36IrN3 — CID 167363099

IUPAC5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)
SMILES[CH3-].[CH3-].[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(CCc3cccnc3)cc(CCc3cccnc3)c2)cn1
InChIInChI=1S/C37H30N3.2CH3.Ir/c1-2-10-32(11-3-1)37-19-18-33(27-40-37)35-12-4-5-13-36(35)34-23-30(16-14-28-8-6-20-38-25-28)22-31(24-34)17-15-29-9-7-21-39-26-29;;;/h1-10,12-13,18-27H,14-17H2;2*1H3;/q3*-1;+3
InChIKeyOBNSNRFGFJSLOF-UHFFFAOYSA-N
MW738.95 g/mol
LogP9.14
Rot. Bonds9

About 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)

5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+) (PubChem CID 167363099) has the molecular formula C39H36IrN3 and a molecular weight of 738.95 g/mol. Its IUPAC name is 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+).

Molecular Properties

Compound Name5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)
PubChem CID167363099
Molecular FormulaC39H36IrN3
Molecular Weight738.95 g/mol
Exact Mass739.25
IUPAC Name5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)
SMILES[CH3-].[CH3-].[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(CCc3cccnc3)cc(CCc3cccnc3)c2)cn1
InChIInChI=1S/C37H30N3.2CH3.Ir/c1-2-10-32(11-3-1)37-19-18-33(27-40-37)35-12-4-5-13-36(35)34-23-30(16-14-28-8-6-20-38-25-28)22-31(24-34)17-15-29-9-7-21-39-26-29;;;/h1-10,12-13,18-27H,14-17H2;2*1H3;/q3*-1;+3
InChIKeyOBNSNRFGFJSLOF-UHFFFAOYSA-N
XLogP9.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.95
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+) with MolForge

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Launch Full Analysis

Related Compounds

iridium(3+);2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine
CID 164776191
iridium(3+);2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)ethyl]-5-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]ethyl]pyridine
CID 165149589
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
CID 140838450
5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-phenyl-4-pyridinyl]-2-phenylpyrimidine;iridium(3+)
CID 165148568
2-[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(4-phenylphenyl)pyridine;iridium(3+)
CID 165148611
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-(2-methanidylphenyl)pyridine;iridium(3+)
CID 153464073
iridium(3+);2-phenyl-4-(4-phenylphenyl)pyridine;2-phenyl-5-[2-[3-(2-phenylphenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 167363064
CID 164805143
CID 164805143
5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium(3+)
CID 165149542
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)
CID 153458738
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
CID 164805127
CID 164805127

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)?
The IUPAC name of 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+) (CID 167363099) is 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+).
What is the SMILES notation for 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)?
The canonical SMILES for 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+) is [CH3-].[CH3-].[Ir+3].[c-]1ccccc1-c1ccc(-c2ccccc2-c2cc(CCc3cccnc3)cc(CCc3cccnc3)c2)cn1.
What is the InChIKey of 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)?
The InChIKey is OBNSNRFGFJSLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N3.2CH3.Ir/c1-2-10-32(11-3-1)37-19-18-33(27-40-37)35-12-4-5-13-36(35)34-23-30(16-14-28-8-6-20-38-25-28)22-31(24-34)17-15-29-9-7-21-39-26-29;;;/h1-10,12-13,18-27H,14-17H2;2*1H3;/q3*-1;+3.
What are the key properties of 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+)?
5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+) has a molecular weight of 738.95 g/mol, XLogP of 9.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis(2-pyridin-3-ylethyl)phenyl]phenyl]-2-phenylpyridine;carbanide;iridium(3+) is sourced from PubChem (CID 167363099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).