2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium

C24H26IrN- — CID 140591636

IUPAC2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium
SMILESCCCCCCc1ccc(-c2cc[c-]c(-c3ccc(C)cn3)c2)cc1.[Ir]
InChIInChI=1S/C24H26N.Ir/c1-3-4-5-6-8-20-12-14-21(15-13-20)22-9-7-10-23(17-22)24-16-11-19(2)18-25-24;/h7,9,11-18H,3-6,8H2,1-2H3;/q-1;
InChIKeyIUSNRBIKARRIAU-UHFFFAOYSA-N
MW520.70 g/mol
LogP6.64
Rot. Bonds7

About 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium

2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium (PubChem CID 140591636) has the molecular formula C24H26IrN- and a molecular weight of 520.70 g/mol. Its IUPAC name is 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium.

Molecular Properties

Compound Name2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium
PubChem CID140591636
Molecular FormulaC24H26IrN-
Molecular Weight520.70 g/mol
Exact Mass521.17
IUPAC Name2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium
SMILESCCCCCCc1ccc(-c2cc[c-]c(-c3ccc(C)cn3)c2)cc1.[Ir]
InChIInChI=1S/C24H26N.Ir/c1-3-4-5-6-8-20-12-14-21(15-13-20)22-9-7-10-23(17-22)24-16-11-19(2)18-25-24;/h7,9,11-18H,3-6,8H2,1-2H3;/q-1;
InChIKeyIUSNRBIKARRIAU-UHFFFAOYSA-N
XLogP6.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.70
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iridium;5-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine
CID 59294837
2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-(2,6-dimethylphenyl)-2-phenylpyridine;6-[3-(3-hexylphenyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-3-amine;iridium
CID 155602207
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-[6-[4-[4,6-bis(4-hexylphenyl)pyrimidin-2-yl]benzene-6-id-1-yl]-3-pyridinyl]-4,6-bis(4-hexylphenyl)pyrimidine;iridium
CID 58280798
5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
CID 140814097
5-hexyl-2-(3H-triphenylen-3-id-2-yl)pyridine;iridium;2-phenyl-5-(2,4,6-trimethylphenyl)pyridine
CID 155602230
1-methyl-4-octylbenzene
CID 11052746
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium?
The IUPAC name of 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium (CID 140591636) is 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium.
What is the SMILES notation for 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium?
The canonical SMILES for 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium is CCCCCCc1ccc(-c2cc[c-]c(-c3ccc(C)cn3)c2)cc1.[Ir].
What is the InChIKey of 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium?
The InChIKey is IUSNRBIKARRIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N.Ir/c1-3-4-5-6-8-20-12-14-21(15-13-20)22-9-7-10-23(17-22)24-16-11-19(2)18-25-24;/h7,9,11-18H,3-6,8H2,1-2H3;/q-1;.
What are the key properties of 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium?
2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium has a molecular weight of 520.70 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hexylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium is sourced from PubChem (CID 140591636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).