2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium

C36H26IrN- — CID 140587226

IUPAC2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium
SMILESCc1cccnc1-c1[c-]ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1.[Ir]
InChIInChI=1S/C36H26N.Ir/c1-26-11-10-20-37-36(26)32-19-9-17-30(22-32)29-16-8-18-31(21-29)35-24-33(27-12-4-2-5-13-27)23-34(25-35)28-14-6-3-7-15-28;/h2-18,20-25H,1H3;/q-1;
InChIKeyZDDRZCAVSZXTMZ-UHFFFAOYSA-N
MW664.83 g/mol
LogP9.52
Rot. Bonds5

About 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium

2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium (PubChem CID 140587226) has the molecular formula C36H26IrN- and a molecular weight of 664.83 g/mol. Its IUPAC name is 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium.

Molecular Properties

Compound Name2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium
PubChem CID140587226
Molecular FormulaC36H26IrN-
Molecular Weight664.83 g/mol
Exact Mass665.17
IUPAC Name2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium
SMILESCc1cccnc1-c1[c-]ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1.[Ir]
InChIInChI=1S/C36H26N.Ir/c1-26-11-10-20-37-36(26)32-19-9-17-30(22-32)29-16-8-18-31(21-29)35-24-33(27-12-4-2-5-13-27)23-34(25-35)28-14-6-3-7-15-28;/h2-18,20-25H,1H3;/q-1;
InChIKeyZDDRZCAVSZXTMZ-UHFFFAOYSA-N
XLogP9.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.83
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine
CID 157060689
1-[3-[4-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786432
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2,4-diphenyl-6-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]-1,3,5-triazine;tris(iridium)
CID 162222367
1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;tris(iridium);tris(1-phenylisoquinoline)
CID 159344194
1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140587086
iridium;1-[3-(3-methylphenyl)benzene-6-id-1-yl]isoquinoline
CID 147779107
1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline
CID 158112951
(3,5-diphenylphenyl)-[3-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]methanone
CID 140587200

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium?
The IUPAC name of 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium (CID 140587226) is 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium.
What is the SMILES notation for 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium?
The canonical SMILES for 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium is Cc1cccnc1-c1[c-]ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1.[Ir].
What is the InChIKey of 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium?
The InChIKey is ZDDRZCAVSZXTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N.Ir/c1-26-11-10-20-37-36(26)32-19-9-17-30(22-32)29-16-8-18-31(21-29)35-24-33(27-12-4-2-5-13-27)23-34(25-35)28-14-6-3-7-15-28;/h2-18,20-25H,1H3;/q-1;.
What are the key properties of 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium?
2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium has a molecular weight of 664.83 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]-3-methylpyridine;iridium is sourced from PubChem (CID 140587226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).