2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine

C215H148Ir3N9 — CID 158219813

IUPAC2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine
SMILESCc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4)c3)c(-c3ccc(-c4ccccc4)cc3)c2)nc1.Cc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4-c4ccc(-c5ccccc5)cc4)c3)cc2)nc1.[2H]C([2H])([2H])c1ccnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C([2H])([2H])[2H])ccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccc(-c5ccccc5)cc4)c3)cc2)c1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/2C72H50N3.C71H48N3.3Ir/c1-48-39-40-73-72(41-48)58-35-36-68(69(45-58)55-25-23-52(24-26-55)51-13-5-4-6-14-51)67-20-12-11-19-66(67)61-43-59(64-17-9-7-15-62(64)53-27-31-56(32-28-53)70-37-21-49(2)46-74-70)42-60(44-61)65-18-10-8-16-63(65)54-29-33-57(34-30-54)71-38-22-50(3)47-75-71;1-48-37-39-73-71(41-48)56-30-26-53(27-31-56)62-15-7-9-17-64(62)59-43-60(65-18-10-8-16-63(65)54-28-32-57(33-29-54)72-42-49(2)38-40-74-72)45-61(44-59)66-19-11-12-20-67(66)68-35-34-58(70-36-21-50(3)47-75-70)46-69(68)55-24-22-52(23-25-55)51-13-5-4-6-14-51;1-48-37-40-73-70(42-48)55-31-27-52(28-32-55)61-16-6-8-18-63(61)58-44-59(64-19-9-7-17-62(64)53-29-33-56(34-30-53)71-43-49(2)38-41-74-71)46-60(45-58)65-20-10-11-21-66(65)67-36-35-57(69-22-12-13-39-72-69)47-68(67)54-25-23-51(24-26-54)50-14-4-3-5-15-50;;;/h4-31,33,36-47H,1-3H3;4-30,32,35-47H,1-3H3;3-31,33,36-47H,1-2H3;;;/q3*-3;3*+3/i;;1D3,2D3;;;
InChIKeyVZJINMQTGWBTOR-JFBSPMTESA-N
MW3440.30 g/mol
LogP55.29
Rot. Bonds35

About 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine

2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine (PubChem CID 158219813) has the molecular formula C215H148Ir3N9 and a molecular weight of 3440.30 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine
PubChem CID158219813
Molecular FormulaC215H148Ir3N9
Molecular Weight3440.30 g/mol
Exact Mass3440.11
IUPAC Name2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine
SMILESCc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4)c3)c(-c3ccc(-c4ccccc4)cc3)c2)nc1.Cc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4-c4ccc(-c5ccccc5)cc4)c3)cc2)nc1.[2H]C([2H])([2H])c1ccnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C([2H])([2H])[2H])ccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccc(-c5ccccc5)cc4)c3)cc2)c1.[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/2C72H50N3.C71H48N3.3Ir/c1-48-39-40-73-72(41-48)58-35-36-68(69(45-58)55-25-23-52(24-26-55)51-13-5-4-6-14-51)67-20-12-11-19-66(67)61-43-59(64-17-9-7-15-62(64)53-27-31-56(32-28-53)70-37-21-49(2)46-74-70)42-60(44-61)65-18-10-8-16-63(65)54-29-33-57(34-30-54)71-38-22-50(3)47-75-71;1-48-37-39-73-71(41-48)56-30-26-53(27-31-56)62-15-7-9-17-64(62)59-43-60(65-18-10-8-16-63(65)54-28-32-57(33-29-54)72-42-49(2)38-40-74-72)45-61(44-59)66-19-11-12-20-67(66)68-35-34-58(70-36-21-50(3)47-75-70)46-69(68)55-24-22-52(23-25-55)51-13-5-4-6-14-51;1-48-37-40-73-70(42-48)55-31-27-52(28-32-55)61-16-6-8-18-63(61)58-44-59(64-19-9-7-17-62(64)53-29-33-56(34-30-53)71-43-49(2)38-41-74-71)46-60(45-58)65-20-10-11-21-66(65)67-36-35-57(69-22-12-13-39-72-69)47-68(67)54-25-23-51(24-26-54)50-14-4-3-5-15-50;;;/h4-31,33,36-47H,1-3H3;4-30,32,35-47H,1-3H3;3-31,33,36-47H,1-2H3;;;/q3*-3;3*+3/i;;1D3,2D3;;;
InChIKeyVZJINMQTGWBTOR-JFBSPMTESA-N
XLogP55.29
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds35
Heavy Atoms227
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003440.30
LogP ≤ 555.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine with MolForge

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Related Compounds

2-[4-[2-[3,5-bis[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine;iridium(3+)
CID 153458702
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium(3+)
CID 153457894
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(3-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;iridium(3+)
CID 153458228
iridium(3+);2-[3-(4-phenylphenyl)-4-[2-[3-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)quinoline
CID 153458762
iridium(3+);4-methyl-2-[4-[2-[3-[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]quinoline
CID 153458099
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;iridium(3+)
CID 165149173
4,6-bis[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]-4-methylphenyl]benzene-6-id-1-yl]pyrimidine;bis(iridium(3+))
CID 169036277
3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;iridium(3+)
CID 153458082
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-[4-(3-methylphenyl)phenyl]benzene-6-id-1-yl]-4,5-dimethylpyridine;iridium(3+)
CID 153458364
2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))
CID 157084353
tetrakis(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine;tris(2-phenylpyridine)
CID 158811687
5-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-11-(trideuteriomethyl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;iridium(3+)
CID 153458026

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine (CID 158219813) is 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine is Cc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4)c3)c(-c3ccc(-c4ccccc4)cc3)c2)nc1.Cc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)ccn5)cc4-c4ccc(-c5ccccc5)cc4)c3)cc2)nc1.[2H]C([2H])([2H])c1ccnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C([2H])([2H])[2H])ccn5)cc4)cc(-c4ccccc4-c4c[c-]c(-c5ccccn5)cc4-c4ccc(-c5ccccc5)cc4)c3)cc2)c1.[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine?
The InChIKey is VZJINMQTGWBTOR-JFBSPMTESA-N. The full InChI is InChI=1S/2C72H50N3.C71H48N3.3Ir/c1-48-39-40-73-72(41-48)58-35-36-68(69(45-58)55-25-23-52(24-26-55)51-13-5-4-6-14-51)67-20-12-11-19-66(67)61-43-59(64-17-9-7-15-62(64)53-27-31-56(32-28-53)70-37-21-49(2)46-74-70)42-60(44-61)65-18-10-8-16-63(65)54-29-33-57(34-30-54)71-38-22-50(3)47-75-71;1-48-37-39-73-71(41-48)56-30-26-53(27-31-56)62-15-7-9-17-64(62)59-43-60(65-18-10-8-16-63(65)54-28-32-57(33-29-54)72-42-49(2)38-40-74-72)45-61(44-59)66-19-11-12-20-67(66)68-35-34-58(70-36-21-50(3)47-75-70)46-69(68)55-24-22-52(23-25-55)51-13-5-4-6-14-51;1-48-37-40-73-70(42-48)55-31-27-52(28-32-55)61-16-6-8-18-63(61)58-44-59(64-19-9-7-17-62(64)53-29-33-56(34-30-53)71-43-49(2)38-41-74-71)46-60(45-58)65-20-10-11-21-66(65)67-36-35-57(69-22-12-13-39-72-69)47-68(67)54-25-23-51(24-26-54)50-14-4-3-5-15-50;;;/h4-31,33,36-47H,1-3H3;4-30,32,35-47H,1-3H3;3-31,33,36-47H,1-2H3;;;/q3*-3;3*+3/i;;1D3,2D3;;;.
What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine?
2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine has a molecular weight of 3440.30 g/mol, XLogP of 55.29, 35 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-4-methylpyridine;tris(iridium(3+));2-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 158219813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).