2-(4-hexylphenyl)quinoline;iridium(3+)

C21H23IrN+3 — CID 161040240

IUPAC2-(4-hexylphenyl)quinoline;iridium(3+)
SMILESCCCCCCc1ccc(-c2ccc3ccccc3n2)cc1.[Ir+3]
InChIInChI=1S/C21H23N.Ir/c1-2-3-4-5-8-17-11-13-19(14-12-17)21-16-15-18-9-6-7-10-20(18)22-21;/h6-7,9-16H,2-5,8H2,1H3;/q;+3
InChIKeyUAUCBBZMPQDNEI-UHFFFAOYSA-N
MW481.64 g/mol
LogP6.02
Rot. Bonds6

About 2-(4-hexylphenyl)quinoline;iridium(3+)

2-(4-hexylphenyl)quinoline;iridium(3+) (PubChem CID 161040240) has the molecular formula C21H23IrN+3 and a molecular weight of 481.64 g/mol. Its IUPAC name is 2-(4-hexylphenyl)quinoline;iridium(3+).

Molecular Properties

Compound Name2-(4-hexylphenyl)quinoline;iridium(3+)
PubChem CID161040240
Molecular FormulaC21H23IrN+3
Molecular Weight481.64 g/mol
Exact Mass482.14
IUPAC Name2-(4-hexylphenyl)quinoline;iridium(3+)
SMILESCCCCCCc1ccc(-c2ccc3ccccc3n2)cc1.[Ir+3]
InChIInChI=1S/C21H23N.Ir/c1-2-3-4-5-8-17-11-13-19(14-12-17)21-16-15-18-9-6-7-10-20(18)22-21;/h6-7,9-16H,2-5,8H2,1H3;/q;+3
InChIKeyUAUCBBZMPQDNEI-UHFFFAOYSA-N
XLogP6.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propylphenyl)quinoline
CID 69251676
4-(6-pentylquinolin-2-yl)phenol
CID 135525498
3-hexylacridine
CID 21394642
4-(4-quinolin-2-ylphenyl)butan-2-one
CID 82540955
2-(4-decoxyphenyl)-6-octylquinoline
CID 67893738
2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline
CID 140745278
2-fluoro-6-(4-heptylphenyl)pyridine
CID 18172851
2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
CID 122600309
N-methyl-1-(4-quinolin-2-ylphenyl)methanamine
CID 116645004
2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine
CID 18172843
1-pentadecyl-4-phenylbenzene
CID 57166115
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)quinoline;iridium(3+)?
The IUPAC name of 2-(4-hexylphenyl)quinoline;iridium(3+) (CID 161040240) is 2-(4-hexylphenyl)quinoline;iridium(3+).
What is the SMILES notation for 2-(4-hexylphenyl)quinoline;iridium(3+)?
The canonical SMILES for 2-(4-hexylphenyl)quinoline;iridium(3+) is CCCCCCc1ccc(-c2ccc3ccccc3n2)cc1.[Ir+3].
What is the InChIKey of 2-(4-hexylphenyl)quinoline;iridium(3+)?
The InChIKey is UAUCBBZMPQDNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N.Ir/c1-2-3-4-5-8-17-11-13-19(14-12-17)21-16-15-18-9-6-7-10-20(18)22-21;/h6-7,9-16H,2-5,8H2,1H3;/q;+3.
What are the key properties of 2-(4-hexylphenyl)quinoline;iridium(3+)?
2-(4-hexylphenyl)quinoline;iridium(3+) has a molecular weight of 481.64 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)quinoline;iridium(3+) is sourced from PubChem (CID 161040240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).