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)

C106H71Ir3N6-3 — CID 162222367

IUPAC1-[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)
SMILES[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1-c1ccccn1
InChIInChI=1S/C39H26N.C35H24N.C32H21N4.3Ir/c1-3-11-28(12-4-1)35-25-36(29-13-5-2-6-14-29)27-37(26-35)33-18-9-16-31(23-33)32-17-10-19-34(24-32)39-38-20-8-7-15-30(38)21-22-40-39;1-3-11-26(12-4-1)32-23-33(27-13-5-2-6-14-27)25-34(24-32)30-17-9-15-28(21-30)29-16-10-18-31(22-29)35-19-7-8-20-36-35;1-3-11-23(12-4-1)30-34-31(24-13-5-2-6-14-24)36-32(35-30)28-18-10-16-26(22-28)25-15-9-17-27(21-25)29-19-7-8-20-33-29;;;/h1-18,20-27H;1-17,19-25H;1-16,18-22H;;;/q3*-1;;;
InChIKeyHNWYBFXTZSVUKB-UHFFFAOYSA-N
MW2005.43 g/mol
LogP26.98
Rot. Bonds15

About 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)

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) (PubChem CID 162222367) has the molecular formula C106H71Ir3N6-3 and a molecular weight of 2005.43 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-[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)
PubChem CID162222367
Molecular FormulaC106H71Ir3N6-3
Molecular Weight2005.43 g/mol
Exact Mass2006.46
IUPAC Name1-[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)
SMILES[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1-c1ccccn1
InChIInChI=1S/C39H26N.C35H24N.C32H21N4.3Ir/c1-3-11-28(12-4-1)35-25-36(29-13-5-2-6-14-29)27-37(26-35)33-18-9-16-31(23-33)32-17-10-19-34(24-32)39-38-20-8-7-15-30(38)21-22-40-39;1-3-11-26(12-4-1)32-23-33(27-13-5-2-6-14-27)25-34(24-32)30-17-9-15-28(21-30)29-16-10-18-31(22-29)35-19-7-8-20-36-35;1-3-11-23(12-4-1)30-34-31(24-13-5-2-6-14-24)36-32(35-30)28-18-10-16-26(22-28)25-15-9-17-27(21-25)29-19-7-8-20-33-29;;;/h1-18,20-27H;1-17,19-25H;1-16,18-22H;;;/q3*-1;;;
InChIKeyHNWYBFXTZSVUKB-UHFFFAOYSA-N
XLogP26.98
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002005.43
LogP ≤ 526.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is [Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1-c1ccccn1.
What is the InChIKey of 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)?
The InChIKey is HNWYBFXTZSVUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N.C35H24N.C32H21N4.3Ir/c1-3-11-28(12-4-1)35-25-36(29-13-5-2-6-14-29)27-37(26-35)33-18-9-16-31(23-33)32-17-10-19-34(24-32)39-38-20-8-7-15-30(38)21-22-40-39;1-3-11-26(12-4-1)32-23-33(27-13-5-2-6-14-27)25-34(24-32)30-17-9-15-28(21-30)29-16-10-18-31(22-29)35-19-7-8-20-36-35;1-3-11-23(12-4-1)30-34-31(24-13-5-2-6-14-24)36-32(35-30)28-18-10-16-26(22-28)25-15-9-17-27(21-25)29-19-7-8-20-33-29;;;/h1-18,20-27H;1-17,19-25H;1-16,18-22H;;;/q3*-1;;;.
What are the key properties of 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)?
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) has a molecular weight of 2005.43 g/mol, XLogP of 26.98, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 162222367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).