2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine)
C456H334F4Ir4N8O16S2-4 — CID 157058221
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine)
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(C2C=CC=C[N-]2)c(F)c1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COC1=CC=C(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=C(c7ccccc7)CC6)CC5)CC4)CC3)CC2)CC1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1C1[N-]C=Cc2ccccc21
InChIInChI=1S/C89H76O4.3C89H64O4.C15H11N.C15H10N.2C13H8NS.C11H7F2N.C11H6F2N.2C11H8N.4Ir/c4*90-86(60-92-88-55-51-84(52-56-88)82-47-43-80(44-48-82)78-39-35-76(36-40-78)74-31-27-72(28-32-74)70-23-19-68(20-24-70)66-15-11-64(12-16-66)62-7-3-1-4-8-62)59-87(91)61-93-89-57-53-85(54-58-89)83-49-45-81(46-50-83)79-41-37-77(38-42-79)75-33-29-73(30-34-75)71-25-21-69(22-26-71)67-17-13-65(14-18-67)63-9-5-2-6-10-63;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-13,15-17,19-21,23-25,27-29,31-33,35-37,39-41,43-45,47-49,51-53,55-57,59,90H,14,18,22,26,30,34,38,42,46,50,54,58,60-61H2;3*1-59,90H,60-61H2;1-7,9-11,15H;1-7,9-11H;2*1-6,8-9H;1-4,6-7,11H;1-4,6-7H;2*1-6,8-9H;;;;/q;;;;-2;3*-1;-2;3*-1;;;2*+3
InChIKeyGUYJMQCROHCUQO-UHFFFAOYSA-N
MW7090.72 g/mol
LogP118.91
Rot. Bonds84
About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine)
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine) (PubChem CID 157058221) has the molecular formula C456H334F4Ir4N8O16S2-4 and a molecular weight of 7090.72 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine).
Molecular Properties
| Compound Name | 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine) |
|---|---|
| PubChem CID | 157058221 |
| Molecular Formula | C456H334F4Ir4N8O16S2-4 |
| Molecular Weight | 7090.72 g/mol |
| Exact Mass | 7088.35 |
| IUPAC Name | 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine) |
| SMILES | Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(C2C=CC=C[N-]2)c(F)c1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COC1=CC=C(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=C(c7ccccc7)CC6)CC5)CC4)CC3)CC2)CC1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1C1[N-]C=Cc2ccccc21 |
| InChI | InChI=1S/C89H76O4.3C89H64O4.C15H11N.C15H10N.2C13H8NS.C11H7F2N.C11H6F2N.2C11H8N.4Ir/c4*90-86(60-92-88-55-51-84(52-56-88)82-47-43-80(44-48-82)78-39-35-76(36-40-78)74-31-27-72(28-32-74)70-23-19-68(20-24-70)66-15-11-64(12-16-66)62-7-3-1-4-8-62)59-87(91)61-93-89-57-53-85(54-58-89)83-49-45-81(46-50-83)79-41-37-77(38-42-79)75-33-29-73(30-34-75)71-25-21-69(22-26-71)67-17-13-65(14-18-67)63-9-5-2-6-10-63;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-13,15-17,19-21,23-25,27-29,31-33,35-37,39-41,43-45,47-49,51-53,55-57,59,90H,14,18,22,26,30,34,38,42,46,50,54,58,60-61H2;3*1-59,90H,60-61H2;1-7,9-11,15H;1-7,9-11H;2*1-6,8-9H;1-4,6-7,11H;1-4,6-7H;2*1-6,8-9H;;;;/q;;;;-2;3*-1;-2;3*-1;;;2*+3 |
| InChIKey | GUYJMQCROHCUQO-UHFFFAOYSA-N |
| XLogP | 118.91 |
| TPSA | 328.58 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 84 |
| Heavy Atoms | 490 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 7090.72 |
| LogP ≤ 5 | 118.91 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine)?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine) (CID 157058221) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine)?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine) is Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(C2C=CC=C[N-]2)c(F)c1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COC1=CC=C(C2=CC=C(C3=CC=C(C4=CC=C(C5=CC=C(C6=CC=C(c7ccccc7)CC6)CC5)CC4)CC3)CC2)CC1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.O=C(C=C(O)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1)COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1C1[N-]C=Cc2ccccc21.
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine)?
The InChIKey is GUYJMQCROHCUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H76O4.3C89H64O4.C15H11N.C15H10N.2C13H8NS.C11H7F2N.C11H6F2N.2C11H8N.4Ir/c4*90-86(60-92-88-55-51-84(52-56-88)82-47-43-80(44-48-82)78-39-35-76(36-40-78)74-31-27-72(28-32-74)70-23-19-68(20-24-70)66-15-11-64(12-16-66)62-7-3-1-4-8-62)59-87(91)61-93-89-57-53-85(54-58-89)83-49-45-81(46-50-83)79-41-37-77(38-42-79)75-33-29-73(30-34-75)71-25-21-69(22-26-71)67-17-13-65(14-18-67)63-9-5-2-6-10-63;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-13,15-17,19-21,23-25,27-29,31-33,35-37,39-41,43-45,47-49,51-53,55-57,59,90H,14,18,22,26,30,34,38,42,46,50,54,58,60-61H2;3*1-59,90H,60-61H2;1-7,9-11,15H;1-7,9-11H;2*1-6,8-9H;1-4,6-7,11H;1-4,6-7H;2*1-6,8-9H;;;;/q;;;;-2;3*-1;-2;3*-1;;;2*+3.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine)?
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine) has a molecular weight of 7090.72 g/mol, XLogP of 118.91, 84 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-2H-pyridin-1-ide;tris(4-hydroxy-1,5-bis[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one);4-hydroxy-1-[4-[4-[4-[4-[4-(4-phenylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]oxy-5-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenoxy]pent-3-en-2-one;bis(iridium);bis(iridium(3+));bis(2-phenyl-1,3-benzothiazole);1-phenylisoquinoline;1-phenyl-1H-isoquinolin-2-ide;bis(2-phenylpyridine) is sourced from PubChem (CID 157058221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157058221 — identifiers, structure, computed properties (public domain)
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