1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline

C327H220Ir7N11-7 — CID 158112951

IUPAC1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline
SMILESCc1ccc(C)c(-c2cc(-c3cc(C)ccc3C)nc(-c3cccc(-c4cc[c-]c(-c5nccc6ccccc56)c4)c3)n2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5ccccc45)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1-c1nccc2ccccc12
InChIInChI=1S/C63H42N.C51H34N.C47H30N.C45H30N.C43H28N.C41H32N3.C37H24N3.7Ir/c1-5-17-44(18-6-1)53-35-54(45-19-7-2-8-20-45)38-58(37-53)60-41-57(42-61(43-60)59-39-55(46-21-9-3-10-22-46)36-56(40-59)47-23-11-4-12-24-47)51-28-15-26-49(33-51)50-27-16-29-52(34-50)63-62-30-14-13-25-48(62)31-32-64-63;1-4-14-36(15-5-1)44-30-45(37-16-6-2-7-17-37)33-48(32-44)49-34-46(38-18-8-3-9-19-38)31-47(35-49)42-23-12-21-40(28-42)41-22-13-24-43(29-41)51-50-25-11-10-20-39(50)26-27-52-51;1-4-20-42-32(11-1)14-9-23-44(42)40-29-39(30-41(31-40)45-24-10-15-33-12-2-5-21-43(33)45)37-18-7-16-35(27-37)36-17-8-19-38(28-36)47-46-22-6-3-13-34(46)25-26-48-47;1-3-12-32(13-4-1)35-17-9-20-38(26-35)42-29-41(33-14-5-2-6-15-33)30-43(31-42)39-21-10-18-36(27-39)37-19-11-22-40(28-37)45-44-23-8-7-16-34(44)24-25-46-45;1-2-11-30(12-3-1)37-27-38(29-39(28-37)41-22-10-15-31-13-4-6-20-40(31)41)35-18-8-16-33(25-35)34-17-9-19-36(26-34)43-42-21-7-5-14-32(42)23-24-44-43;1-26-15-17-28(3)36(21-26)38-25-39(37-22-27(2)16-18-29(37)4)44-41(43-38)34-13-8-11-32(24-34)31-10-7-12-33(23-31)40-35-14-6-5-9-30(35)19-20-42-40;1-3-12-27(13-4-1)34-25-35(28-14-5-2-6-15-28)40-37(39-34)32-19-10-17-30(24-32)29-16-9-18-31(23-29)36-33-20-8-7-11-26(33)21-22-38-36;;;;;;;/h1-28,30-43H;1-23,25-35H;1-18,20-31H;1-21,23-31H;1-18,20-29H;5-11,13-25H,1-4H3;1-17,19-25H;;;;;;;/q7*-1;;;;;;;
InChIKeyZJULTHLTEZQWCV-UHFFFAOYSA-N
MW5648.95 g/mol
LogP86.51
Rot. Bonds42

About 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline

1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline (PubChem CID 158112951) has the molecular formula C327H220Ir7N11-7 and a molecular weight of 5648.95 g/mol. Its IUPAC name is 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline.

Molecular Properties

Compound Name1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline
PubChem CID158112951
Molecular FormulaC327H220Ir7N11-7
Molecular Weight5648.95 g/mol
Exact Mass5650.50
IUPAC Name1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline
SMILESCc1ccc(C)c(-c2cc(-c3cc(C)ccc3C)nc(-c3cccc(-c4cc[c-]c(-c5nccc6ccccc56)c4)c3)n2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5ccccc45)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1-c1nccc2ccccc12
InChIInChI=1S/C63H42N.C51H34N.C47H30N.C45H30N.C43H28N.C41H32N3.C37H24N3.7Ir/c1-5-17-44(18-6-1)53-35-54(45-19-7-2-8-20-45)38-58(37-53)60-41-57(42-61(43-60)59-39-55(46-21-9-3-10-22-46)36-56(40-59)47-23-11-4-12-24-47)51-28-15-26-49(33-51)50-27-16-29-52(34-50)63-62-30-14-13-25-48(62)31-32-64-63;1-4-14-36(15-5-1)44-30-45(37-16-6-2-7-17-37)33-48(32-44)49-34-46(38-18-8-3-9-19-38)31-47(35-49)42-23-12-21-40(28-42)41-22-13-24-43(29-41)51-50-25-11-10-20-39(50)26-27-52-51;1-4-20-42-32(11-1)14-9-23-44(42)40-29-39(30-41(31-40)45-24-10-15-33-12-2-5-21-43(33)45)37-18-7-16-35(27-37)36-17-8-19-38(28-36)47-46-22-6-3-13-34(46)25-26-48-47;1-3-12-32(13-4-1)35-17-9-20-38(26-35)42-29-41(33-14-5-2-6-15-33)30-43(31-42)39-21-10-18-36(27-39)37-19-11-22-40(28-37)45-44-23-8-7-16-34(44)24-25-46-45;1-2-11-30(12-3-1)37-27-38(29-39(28-37)41-22-10-15-31-13-4-6-20-40(31)41)35-18-8-16-33(25-35)34-17-9-19-36(26-34)43-42-21-7-5-14-32(42)23-24-44-43;1-26-15-17-28(3)36(21-26)38-25-39(37-22-27(2)16-18-29(37)4)44-41(43-38)34-13-8-11-32(24-34)31-10-7-12-33(23-31)40-35-14-6-5-9-30(35)19-20-42-40;1-3-12-27(13-4-1)34-25-35(28-14-5-2-6-15-28)40-37(39-34)32-19-10-17-30(24-32)29-16-9-18-31(23-29)36-33-20-8-7-11-26(33)21-22-38-36;;;;;;;/h1-28,30-43H;1-23,25-35H;1-18,20-31H;1-21,23-31H;1-18,20-29H;5-11,13-25H,1-4H3;1-17,19-25H;;;;;;;/q7*-1;;;;;;;
InChIKeyZJULTHLTEZQWCV-UHFFFAOYSA-N
XLogP86.51
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds42
Heavy Atoms345
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005648.95
LogP ≤ 586.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140587086
1-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]isoquinoline;iridium
CID 140587074
1-[3-[4-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786432
1-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2,4-diphenyl-6-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]-1,3,5-triazine;tris(iridium)
CID 162222367
1-[3-[4-(3,5-diphenylphenyl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786279
iridium;1-[3-(3-methylphenyl)benzene-6-id-1-yl]isoquinoline
CID 147779107
1-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786226
4,6-bis(2,5-dimethylphenyl)-2-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]pyrimidine;2-[3-[3-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-(4,6-diphenylpyrimidin-2-yl)-5-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;tetrakis(iridium);2-[3-[3-(3-phenyl-5-thiophen-2-ylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 159574513
2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 159380882
1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;tris(iridium);tris(1-phenylisoquinoline)
CID 159344194
1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 140786241
iridium;2-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-4-phenylquinazoline
CID 140786194

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline?
The IUPAC name of 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline (CID 158112951) is 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline.
What is the SMILES notation for 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline?
The canonical SMILES for 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline is Cc1ccc(C)c(-c2cc(-c3cc(C)ccc3C)nc(-c3cccc(-c4cc[c-]c(-c5nccc6ccccc56)c4)c3)n2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5ccccc45)c3)c2)cc1-c1nccc2ccccc12.[c-]1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1-c1nccc2ccccc12.
What is the InChIKey of 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline?
The InChIKey is ZJULTHLTEZQWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N.C51H34N.C47H30N.C45H30N.C43H28N.C41H32N3.C37H24N3.7Ir/c1-5-17-44(18-6-1)53-35-54(45-19-7-2-8-20-45)38-58(37-53)60-41-57(42-61(43-60)59-39-55(46-21-9-3-10-22-46)36-56(40-59)47-23-11-4-12-24-47)51-28-15-26-49(33-51)50-27-16-29-52(34-50)63-62-30-14-13-25-48(62)31-32-64-63;1-4-14-36(15-5-1)44-30-45(37-16-6-2-7-17-37)33-48(32-44)49-34-46(38-18-8-3-9-19-38)31-47(35-49)42-23-12-21-40(28-42)41-22-13-24-43(29-41)51-50-25-11-10-20-39(50)26-27-52-51;1-4-20-42-32(11-1)14-9-23-44(42)40-29-39(30-41(31-40)45-24-10-15-33-12-2-5-21-43(33)45)37-18-7-16-35(27-37)36-17-8-19-38(28-36)47-46-22-6-3-13-34(46)25-26-48-47;1-3-12-32(13-4-1)35-17-9-20-38(26-35)42-29-41(33-14-5-2-6-15-33)30-43(31-42)39-21-10-18-36(27-39)37-19-11-22-40(28-37)45-44-23-8-7-16-34(44)24-25-46-45;1-2-11-30(12-3-1)37-27-38(29-39(28-37)41-22-10-15-31-13-4-6-20-40(31)41)35-18-8-16-33(25-35)34-17-9-19-36(26-34)43-42-21-7-5-14-32(42)23-24-44-43;1-26-15-17-28(3)36(21-26)38-25-39(37-22-27(2)16-18-29(37)4)44-41(43-38)34-13-8-11-32(24-34)31-10-7-12-33(23-31)40-35-14-6-5-9-30(35)19-20-42-40;1-3-12-27(13-4-1)34-25-35(28-14-5-2-6-15-28)40-37(39-34)32-19-10-17-30(24-32)29-16-9-18-31(23-29)36-33-20-8-7-11-26(33)21-22-38-36;;;;;;;/h1-28,30-43H;1-23,25-35H;1-18,20-31H;1-21,23-31H;1-18,20-29H;5-11,13-25H,1-4H3;1-17,19-25H;;;;;;;/q7*-1;;;;;;;.
What are the key properties of 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline?
1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline has a molecular weight of 5648.95 g/mol, XLogP of 86.51, 42 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[4,6-bis(2,5-dimethylphenyl)pyrimidin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(3,5-dinaphthalen-1-ylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;heptakis(iridium);1-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline is sourced from PubChem (CID 158112951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).