N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+)

C75H51IrN6 — CID 156674186

IUPACN-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+)
SMILESCc1cc[c-]c(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5[c-]ccc(C)c5)nc4)cc(-c4ccccc4-c4cnc(-c5[c-]ccc(N(c6ccccc6)c6cccc(-c7ccccc7)n6)c5)nc4)c3)cn2)c1.[Ir+3]
InChIInChI=1S/C75H51N6.Ir/c1-51-19-15-23-54(41-51)71-39-37-57(47-76-71)65-29-9-11-31-67(65)59-43-60(68-32-12-10-30-66(68)58-38-40-72(77-48-58)55-24-16-20-52(2)42-55)45-61(44-59)69-33-13-14-34-70(69)62-49-78-75(79-50-62)56-25-17-28-64(46-56)81(63-26-7-4-8-27-63)74-36-18-35-73(80-74)53-21-5-3-6-22-53;/h3-22,26-50H,1-2H3;/q-3;+3
InChIKeyGWYXETQHLJIWMN-UHFFFAOYSA-N
MW1228.49 g/mol
LogP18.82
Rot. Bonds13

About N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+)

N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+) (PubChem CID 156674186) has the molecular formula C75H51IrN6 and a molecular weight of 1228.49 g/mol. Its IUPAC name is N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+).

Molecular Properties

Compound NameN-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+)
PubChem CID156674186
Molecular FormulaC75H51IrN6
Molecular Weight1228.49 g/mol
Exact Mass1228.38
IUPAC NameN-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+)
SMILESCc1cc[c-]c(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5[c-]ccc(C)c5)nc4)cc(-c4ccccc4-c4cnc(-c5[c-]ccc(N(c6ccccc6)c6cccc(-c7ccccc7)n6)c5)nc4)c3)cn2)c1.[Ir+3]
InChIInChI=1S/C75H51N6.Ir/c1-51-19-15-23-54(41-51)71-39-37-57(47-76-71)65-29-9-11-31-67(65)59-43-60(68-32-12-10-30-66(68)58-38-40-72(77-48-58)55-24-16-20-52(2)42-55)45-61(44-59)69-33-13-14-34-70(69)62-49-78-75(79-50-62)56-25-17-28-64(46-56)81(63-26-7-4-8-27-63)74-36-18-35-73(80-74)53-21-5-3-6-22-53;/h3-22,26-50H,1-2H3;/q-3;+3
InChIKeyGWYXETQHLJIWMN-UHFFFAOYSA-N
XLogP18.82
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001228.49
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+) with MolForge

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Related Compounds

N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine
CID 156674183
iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine
CID 140595043
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153457886
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
CID 140838450
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]-5-[2-(3,5-dimethylphenyl)phenyl]pyridine;iridium;iridium(3+)
CID 160652235
2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-6-phenylpyridine;carbanide;iridium
CID 166046651
N,N-bis(3-methylphenyl)-3-pyridin-2-ylbenzene-4-id-1-amine;iridium
CID 21042165
tris(iridium);bis(2-(3-methylbenzene-6-id-1-yl)-5-phenylpyridine);bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine;5-phenyl-2-phenylpyridine
CID 158490047
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
CID 126639001
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;iridium(3+)
CID 153458738

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+)?
The IUPAC name of N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+) (CID 156674186) is N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+).
What is the SMILES notation for N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+)?
The canonical SMILES for N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+) is Cc1cc[c-]c(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5[c-]ccc(C)c5)nc4)cc(-c4ccccc4-c4cnc(-c5[c-]ccc(N(c6ccccc6)c6cccc(-c7ccccc7)n6)c5)nc4)c3)cn2)c1.[Ir+3].
What is the InChIKey of N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+)?
The InChIKey is GWYXETQHLJIWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N6.Ir/c1-51-19-15-23-54(41-51)71-39-37-57(47-76-71)65-29-9-11-31-67(65)59-43-60(68-32-12-10-30-66(68)58-38-40-72(77-48-58)55-24-16-20-52(2)42-55)45-61(44-59)69-33-13-14-34-70(69)62-49-78-75(79-50-62)56-25-17-28-64(46-56)81(63-26-7-4-8-27-63)74-36-18-35-73(80-74)53-21-5-3-6-22-53;/h3-22,26-50H,1-2H3;/q-3;+3.
What are the key properties of N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+)?
N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+) has a molecular weight of 1228.49 g/mol, XLogP of 18.82, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-[3,5-bis[2-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]benzene-4-id-1-yl]-N,6-diphenylpyridin-2-amine;iridium(3+) is sourced from PubChem (CID 156674186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).