iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine

C82H59Ir2N8-2 — CID 58274069

IUPACiridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine
SMILESC1=CC[N-]C(c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccnc(-c7ccccn7)c6)cc5)cc4)cc3)ccn2)=C1.[Ir+3].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C38H27N4.4C11H8N.2Ir/c1-3-21-39-35(5-1)37-25-33(19-23-41-37)31-15-11-29(12-16-31)27-7-9-28(10-8-27)30-13-17-32(18-14-30)34-20-24-42-38(26-34)36-6-2-4-22-40-36;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-21,23-26H,22H2;4*1-6,8-9H;;/q5*-1;;+3
InChIKeyWKFUNGJTXMLTAP-UHFFFAOYSA-N
MW1540.86 g/mol
LogP19.68
Rot. Bonds10

About iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine

iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 58274069) has the molecular formula C82H59Ir2N8-2 and a molecular weight of 1540.86 g/mol. Its IUPAC name is iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Nameiridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine
PubChem CID58274069
Molecular FormulaC82H59Ir2N8-2
Molecular Weight1540.86 g/mol
Exact Mass1541.41
IUPAC Nameiridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine
SMILESC1=CC[N-]C(c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccnc(-c7ccccn7)c6)cc5)cc4)cc3)ccn2)=C1.[Ir+3].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C38H27N4.4C11H8N.2Ir/c1-3-21-39-35(5-1)37-25-33(19-23-41-37)31-15-11-29(12-16-31)27-7-9-28(10-8-27)30-13-17-32(18-14-30)34-20-24-42-38(26-34)36-6-2-4-22-40-36;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-21,23-26H,22H2;4*1-6,8-9H;;/q5*-1;;+3
InChIKeyWKFUNGJTXMLTAP-UHFFFAOYSA-N
XLogP19.68
TPSA104.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001540.86
LogP ≤ 519.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine with MolForge

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Related Compounds

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CID 170518302
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Frequently Asked Questions

What is the IUPAC name of iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine (CID 58274069) is iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine is C1=CC[N-]C(c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccnc(-c7ccccn7)c6)cc5)cc4)cc3)ccn2)=C1.[Ir+3].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is WKFUNGJTXMLTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N4.4C11H8N.2Ir/c1-3-21-39-35(5-1)37-25-33(19-23-41-37)31-15-11-29(12-16-31)27-7-9-28(10-8-27)30-13-17-32(18-14-30)34-20-24-42-38(26-34)36-6-2-4-22-40-36;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-21,23-26H,22H2;4*1-6,8-9H;;/q5*-1;;+3.
What are the key properties of iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine?
iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 1540.86 g/mol, XLogP of 19.68, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;iridium(3+);tetrakis(2-phenylpyridine);2-(2H-pyridin-1-id-6-yl)-4-[4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 58274069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).