5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+))

C202H134Ir3N15 — CID 157393787

IUPAC5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+))
SMILES[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc(-c4ccccc4)cc3)c2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnn(-c3[c-]cccc3)c2C([2H])([2H])[2H])cc(-c2ccccc2-c2cnn(-c3[c-]cccc3)c2C([2H])([2H])[2H])c1.[2H]c1[c-]c(-n2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5[c-]ccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc4)cc(-c4ccccc4-c4cnn(-c5[c-]c([2H])c([2H])c([2H])c5[2H])c4)c3)cn2)c([2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3cc[c-]c(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6cnn(-c7[c-]cccc7)c6)cc(-c6ccccc6-c6cnn(-c7[c-]cccc7)c6)c5)cn4)c3)c([2H])c2[2H])c([2H])c1[2H].[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C69H44N5.C68H48N5.C65H42N5.3Ir/c1-4-19-48(20-5-1)65-36-37-66(68-34-17-16-33-67(65)68)49-21-18-22-50(39-49)69-38-35-51(43-70-69)59-27-10-11-28-60(59)52-40-53(61-29-12-14-31-63(61)55-44-71-73(46-55)57-23-6-2-7-24-57)42-54(41-52)62-30-13-15-32-64(62)56-45-72-74(47-56)58-25-8-3-9-26-58;1-46-38-68(53-23-19-22-52(39-53)51-36-34-50(35-37-51)49-20-7-4-8-21-49)69-43-65(46)62-31-16-13-28-59(62)54-40-55(60-29-14-17-32-63(60)66-44-70-72(47(66)2)57-24-9-5-10-25-57)42-56(41-54)61-30-15-18-33-64(61)67-45-71-73(48(67)3)58-26-11-6-12-27-58;1-4-17-46(18-5-1)47-31-33-48(34-32-47)49-19-16-20-50(37-49)65-36-35-51(41-66-65)59-25-10-11-26-60(59)52-38-53(61-27-12-14-29-63(61)55-42-67-69(44-55)57-21-6-2-7-22-57)40-54(39-52)62-28-13-15-30-64(62)56-43-68-70(45-56)58-23-8-3-9-24-58;;;/h1-21,23,25,27-47H;4-22,24,26,28-45H,1-3H3;1-19,21,23,25-45H;;;/q3*-3;3*+3/i2D,3D,6D,7D,8D,9D,23D,25D;1D3,2D3,3D3;1D,4D,5D,17D,18D,31D,32D,33D,34D;;;
InChIKeyFBSBIAZEDHDNRK-HALJPEROSA-N
MW3374.21 g/mol
LogP49.64
Rot. Bonds36

About 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+))

5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+)) (PubChem CID 157393787) has the molecular formula C202H134Ir3N15 and a molecular weight of 3374.21 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+)).

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+))
PubChem CID157393787
Molecular FormulaC202H134Ir3N15
Molecular Weight3374.21 g/mol
Exact Mass3374.15
IUPAC Name5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+))
SMILES[2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc(-c4ccccc4)cc3)c2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnn(-c3[c-]cccc3)c2C([2H])([2H])[2H])cc(-c2ccccc2-c2cnn(-c3[c-]cccc3)c2C([2H])([2H])[2H])c1.[2H]c1[c-]c(-n2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5[c-]ccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc4)cc(-c4ccccc4-c4cnn(-c5[c-]c([2H])c([2H])c([2H])c5[2H])c4)c3)cn2)c([2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3cc[c-]c(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6cnn(-c7[c-]cccc7)c6)cc(-c6ccccc6-c6cnn(-c7[c-]cccc7)c6)c5)cn4)c3)c([2H])c2[2H])c([2H])c1[2H].[Ir+3].[Ir+3].[Ir+3]
InChIInChI=1S/C69H44N5.C68H48N5.C65H42N5.3Ir/c1-4-19-48(20-5-1)65-36-37-66(68-34-17-16-33-67(65)68)49-21-18-22-50(39-49)69-38-35-51(43-70-69)59-27-10-11-28-60(59)52-40-53(61-29-12-14-31-63(61)55-44-71-73(46-55)57-23-6-2-7-24-57)42-54(41-52)62-30-13-15-32-64(62)56-45-72-74(47-56)58-25-8-3-9-26-58;1-46-38-68(53-23-19-22-52(39-53)51-36-34-50(35-37-51)49-20-7-4-8-21-49)69-43-65(46)62-31-16-13-28-59(62)54-40-55(60-29-14-17-32-63(60)66-44-70-72(47(66)2)57-24-9-5-10-25-57)42-56(41-54)61-30-15-18-33-64(61)67-45-71-73(48(67)3)58-26-11-6-12-27-58;1-4-17-46(18-5-1)47-31-33-48(34-32-47)49-19-16-20-50(37-49)65-36-35-51(41-66-65)59-25-10-11-26-60(59)52-38-53(61-27-12-14-29-63(61)55-42-67-69(44-55)57-21-6-2-7-22-57)40-54(39-52)62-28-13-15-30-64(62)56-43-68-70(45-56)58-23-8-3-9-24-58;;;/h1-21,23,25,27-47H;4-22,24,26,28-45H,1-3H3;1-19,21,23,25-45H;;;/q3*-3;3*+3/i2D,3D,6D,7D,8D,9D,23D,25D;1D3,2D3,3D3;1D,4D,5D,17D,18D,31D,32D,33D,34D;;;
InChIKeyFBSBIAZEDHDNRK-HALJPEROSA-N
XLogP49.64
TPSA145.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003374.21
LogP ≤ 549.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+)) with MolForge

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Related Compounds

5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153458422
5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylbenzene-6-id-1-yl)pyridine;iridium(3+)
CID 153457930
5-[2-[3,5-bis[4-fluoro-2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153458174
iridium(3+);2-phenyl-5-[2-[3-[4-[6-[3-(4-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]dibenzofuran-3-yl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 153457902
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-[1-(2,4-difluorobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153458156
5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153458523
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
5-[2-[3,5-bis[2-[4-(3,4,5-trimethylpyrazol-1-yl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153458332
pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)
CID 159371989
3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
CID 159408111
iridium(3+);2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine
CID 164776191

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+))?
The IUPAC name of 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+)) (CID 157393787) is 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+)).
What is the SMILES notation for 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+))?
The canonical SMILES for 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+)) is [2H]C([2H])([2H])c1cc(-c2[c-]ccc(-c3ccc(-c4ccccc4)cc3)c2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnn(-c3[c-]cccc3)c2C([2H])([2H])[2H])cc(-c2ccccc2-c2cnn(-c3[c-]cccc3)c2C([2H])([2H])[2H])c1.[2H]c1[c-]c(-n2cc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5[c-]ccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc4)cc(-c4ccccc4-c4cnn(-c5[c-]c([2H])c([2H])c([2H])c5[2H])c4)c3)cn2)c([2H])c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3cc[c-]c(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6cnn(-c7[c-]cccc7)c6)cc(-c6ccccc6-c6cnn(-c7[c-]cccc7)c6)c5)cn4)c3)c([2H])c2[2H])c([2H])c1[2H].[Ir+3].[Ir+3].[Ir+3].
What is the InChIKey of 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+))?
The InChIKey is FBSBIAZEDHDNRK-HALJPEROSA-N. The full InChI is InChI=1S/C69H44N5.C68H48N5.C65H42N5.3Ir/c1-4-19-48(20-5-1)65-36-37-66(68-34-17-16-33-67(65)68)49-21-18-22-50(39-49)69-38-35-51(43-70-69)59-27-10-11-28-60(59)52-40-53(61-29-12-14-31-63(61)55-44-71-73(46-55)57-23-6-2-7-24-57)42-54(41-52)62-30-13-15-32-64(62)56-45-72-74(47-56)58-25-8-3-9-26-58;1-46-38-68(53-23-19-22-52(39-53)51-36-34-50(35-37-51)49-20-7-4-8-21-49)69-43-65(46)62-31-16-13-28-59(62)54-40-55(60-29-14-17-32-63(60)66-44-70-72(47(66)2)57-24-9-5-10-25-57)42-56(41-54)61-30-15-18-33-64(61)67-45-71-73(48(67)3)58-26-11-6-12-27-58;1-4-17-46(18-5-1)47-31-33-48(34-32-47)49-19-16-20-50(37-49)65-36-35-51(41-66-65)59-25-10-11-26-60(59)52-38-53(61-27-12-14-29-63(61)55-42-67-69(44-55)57-21-6-2-7-22-57)40-54(39-52)62-28-13-15-30-64(62)56-43-68-70(45-56)58-23-8-3-9-24-58;;;/h1-21,23,25,27-47H;4-22,24,26,28-45H,1-3H3;1-19,21,23,25-45H;;;/q3*-3;3*+3/i2D,3D,6D,7D,8D,9D,23D,25D;1D3,2D3,3D3;1D,4D,5D,17D,18D,31D,32D,33D,34D;;;.
What are the key properties of 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+))?
5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+)) has a molecular weight of 3374.21 g/mol, XLogP of 49.64, 36 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[2-[3,5-bis[2-[1-phenyl-5-(trideuteriomethyl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]-4-(trideuteriomethyl)pyridine;5-[2-[3,5-bis[2-[1-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)pyrazol-4-yl]phenyl]phenyl]phenyl]-2-[3-(4-phenylnaphthalen-1-yl)benzene-6-id-1-yl]pyridine;tris(iridium(3+)) is sourced from PubChem (CID 157393787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).