2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine

C174H118Ir4N4-4 — CID 159380882

IUPAC2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
SMILES[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5ccccc45)c3)c2)cc1-c1ccccn1
InChIInChI=1S/2C47H32N.C41H28N.C39H26N.4Ir/c1-4-14-34(15-5-1)41-28-42(35-16-6-2-7-17-35)31-45(30-41)46-32-43(36-18-8-3-9-19-36)29-44(33-46)39-22-12-20-37(26-39)38-21-13-23-40(27-38)47-24-10-11-25-48-47;1-3-13-34(14-4-1)36-17-9-21-40(27-36)44-31-45(41-22-10-18-37(28-41)35-15-5-2-6-16-35)33-46(32-44)42-23-11-19-38(29-42)39-20-12-24-43(30-39)47-25-7-8-26-48-47;1-3-12-30(13-4-1)32-16-9-19-35(24-32)39-27-38(31-14-5-2-6-15-31)28-40(29-39)36-20-10-17-33(25-36)34-18-11-21-37(26-34)41-22-7-8-23-42-41;1-2-11-28(12-3-1)34-25-35(27-36(26-34)38-20-10-14-29-13-4-5-19-37(29)38)32-17-8-15-30(23-32)31-16-9-18-33(24-31)39-21-6-7-22-40-39;;;;/h1-22,24-33H;1-23,25-33H;1-20,22-29H;1-17,19-27H;;;;/q4*-1;;;;
InChIKeyBMUQVACTNCJHNA-UHFFFAOYSA-N
MW3033.75 g/mol
LogP46.35
Rot. Bonds25

About 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine

2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 159380882) has the molecular formula C174H118Ir4N4-4 and a molecular weight of 3033.75 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
PubChem CID159380882
Molecular FormulaC174H118Ir4N4-4
Molecular Weight3033.75 g/mol
Exact Mass3034.79
IUPAC Name2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
SMILES[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5ccccc45)c3)c2)cc1-c1ccccn1
InChIInChI=1S/2C47H32N.C41H28N.C39H26N.4Ir/c1-4-14-34(15-5-1)41-28-42(35-16-6-2-7-17-35)31-45(30-41)46-32-43(36-18-8-3-9-19-36)29-44(33-46)39-22-12-20-37(26-39)38-21-13-23-40(27-38)47-24-10-11-25-48-47;1-3-13-34(14-4-1)36-17-9-21-40(27-36)44-31-45(41-22-10-18-37(28-41)35-15-5-2-6-16-35)33-46(32-44)42-23-11-19-38(29-42)39-20-12-24-43(30-39)47-25-7-8-26-48-47;1-3-12-30(13-4-1)32-16-9-19-35(24-32)39-27-38(31-14-5-2-6-15-31)28-40(29-39)36-20-10-17-33(25-36)34-18-11-21-37(26-34)41-22-7-8-23-42-41;1-2-11-28(12-3-1)34-25-35(27-36(26-34)38-20-10-14-29-13-4-5-19-37(29)38)32-17-8-15-30(23-32)31-16-9-18-33(24-31)39-21-6-7-22-40-39;;;;/h1-22,24-33H;1-23,25-33H;1-20,22-29H;1-17,19-27H;;;;/q4*-1;;;;
InChIKeyBMUQVACTNCJHNA-UHFFFAOYSA-N
XLogP46.35
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms182
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003033.75
LogP ≤ 546.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine (CID 159380882) is 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine is [Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5ccccc45)c3)c2)cc1-c1ccccn1.
What is the InChIKey of 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?
The InChIKey is BMUQVACTNCJHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H32N.C41H28N.C39H26N.4Ir/c1-4-14-34(15-5-1)41-28-42(35-16-6-2-7-17-35)31-45(30-41)46-32-43(36-18-8-3-9-19-36)29-44(33-46)39-22-12-20-37(26-39)38-21-13-23-40(27-38)47-24-10-11-25-48-47;1-3-13-34(14-4-1)36-17-9-21-40(27-36)44-31-45(41-22-10-18-37(28-41)35-15-5-2-6-16-35)33-46(32-44)42-23-11-19-38(29-42)39-20-12-24-43(30-39)47-25-7-8-26-48-47;1-3-12-30(13-4-1)32-16-9-19-35(24-32)39-27-38(31-14-5-2-6-15-31)28-40(29-39)36-20-10-17-33(25-36)34-18-11-21-37(26-34)41-22-7-8-23-42-41;1-2-11-28(12-3-1)34-25-35(27-36(26-34)38-20-10-14-29-13-4-5-19-37(29)38)32-17-8-15-30(23-32)31-16-9-18-33(24-31)39-21-6-7-22-40-39;;;;/h1-22,24-33H;1-23,25-33H;1-20,22-29H;1-17,19-27H;;;;/q4*-1;;;;.
What are the key properties of 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?
2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 3033.75 g/mol, XLogP of 46.35, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159380882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).