bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+)

C154H122IrN3 — CID 59467499

IUPACbis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+)
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3cc[c-]c(-c4cc(-c5cc(-c6ccc(C)cc6)cc(-c6ccc(C)cc6)c5)ccn4)c3)c2)cc1.Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3cc[c-]c(-c4cc(-c5cc(-c6ccc(C)cc6)cc(-c6ccc(C)cc6)c5)ccn4)c3)c2)cc1.[CH2-]c1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)cc1-c1cc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)ccn1.[Ir+3]
InChIInChI=1S/C52H42N.2C51H40N.Ir/c1-34-6-15-39(16-7-34)45-26-46(40-17-8-35(2)9-18-40)29-49(28-45)43-23-14-38(5)51(32-43)52-33-44(24-25-53-52)50-30-47(41-19-10-36(3)11-20-41)27-48(31-50)42-21-12-37(4)13-22-42;2*1-34-8-16-38(17-9-34)45-27-46(39-18-10-35(2)11-19-39)30-49(29-45)42-6-5-7-44(26-42)51-33-43(24-25-52-51)50-31-47(40-20-12-36(3)13-21-40)28-48(32-50)41-22-14-37(4)15-23-41;/h6-33H,5H2,1-4H3;2*5-6,8-33H,1-4H3;/q3*-1;+3
InChIKeyOEXRFCAXWYXSMM-UHFFFAOYSA-N
MW2206.91 g/mol
LogP41.73
Rot. Bonds21

About bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+)

bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+) (PubChem CID 59467499) has the molecular formula C154H122IrN3 and a molecular weight of 2206.91 g/mol. Its IUPAC name is bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+).

Molecular Properties

Compound Namebis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+)
PubChem CID59467499
Molecular FormulaC154H122IrN3
Molecular Weight2206.91 g/mol
Exact Mass2205.93
IUPAC Namebis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+)
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3cc[c-]c(-c4cc(-c5cc(-c6ccc(C)cc6)cc(-c6ccc(C)cc6)c5)ccn4)c3)c2)cc1.Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3cc[c-]c(-c4cc(-c5cc(-c6ccc(C)cc6)cc(-c6ccc(C)cc6)c5)ccn4)c3)c2)cc1.[CH2-]c1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)cc1-c1cc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)ccn1.[Ir+3]
InChIInChI=1S/C52H42N.2C51H40N.Ir/c1-34-6-15-39(16-7-34)45-26-46(40-17-8-35(2)9-18-40)29-49(28-45)43-23-14-38(5)51(32-43)52-33-44(24-25-53-52)50-30-47(41-19-10-36(3)11-20-41)27-48(31-50)42-21-12-37(4)13-22-42;2*1-34-8-16-38(17-9-34)45-27-46(39-18-10-35(2)11-19-39)30-49(29-45)42-6-5-7-44(26-42)51-33-43(24-25-52-51)50-31-47(40-20-12-36(3)13-21-40)28-48(32-50)41-22-14-37(4)15-23-41;/h6-33H,5H2,1-4H3;2*5-6,8-33H,1-4H3;/q3*-1;+3
InChIKeyOEXRFCAXWYXSMM-UHFFFAOYSA-N
XLogP41.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002206.91
LogP ≤ 541.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+) with MolForge

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Related Compounds

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3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
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Frequently Asked Questions

What is the IUPAC name of bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+)?
The IUPAC name of bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+) (CID 59467499) is bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+).
What is the SMILES notation for bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+)?
The canonical SMILES for bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+) is Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3cc[c-]c(-c4cc(-c5cc(-c6ccc(C)cc6)cc(-c6ccc(C)cc6)c5)ccn4)c3)c2)cc1.Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3cc[c-]c(-c4cc(-c5cc(-c6ccc(C)cc6)cc(-c6ccc(C)cc6)c5)ccn4)c3)c2)cc1.[CH2-]c1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)cc1-c1cc(-c2cc(-c3ccc(C)cc3)cc(-c3ccc(C)cc3)c2)ccn1.[Ir+3].
What is the InChIKey of bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+)?
The InChIKey is OEXRFCAXWYXSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N.2C51H40N.Ir/c1-34-6-15-39(16-7-34)45-26-46(40-17-8-35(2)9-18-40)29-49(28-45)43-23-14-38(5)51(32-43)52-33-44(24-25-53-52)50-30-47(41-19-10-36(3)11-20-41)27-48(31-50)42-21-12-37(4)13-22-42;2*1-34-8-16-38(17-9-34)45-27-46(39-18-10-35(2)11-19-39)30-49(29-45)42-6-5-7-44(26-42)51-33-43(24-25-52-51)50-31-47(40-20-12-36(3)13-21-40)28-48(32-50)41-22-14-37(4)15-23-41;/h6-33H,5H2,1-4H3;2*5-6,8-33H,1-4H3;/q3*-1;+3.
What are the key properties of bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+)?
bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+) has a molecular weight of 2206.91 g/mol, XLogP of 41.73, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[3,5-bis(4-methylphenyl)phenyl]-2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine);4-[3,5-bis(4-methylphenyl)phenyl]-2-[5-[3,5-bis(4-methylphenyl)phenyl]-2-methanidylphenyl]pyridine;iridium(3+) is sourced from PubChem (CID 59467499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).