2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium)

C197H192B2Br2Ir2N5O4-3 — CID 157379599

About 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium)

2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium) (PubChem CID 157379599) has the molecular formula C197H192B2Br2Ir2N5O4-3 and a molecular weight of 3259.60 g/mol. Its IUPAC name is 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium).

Molecular Properties

• Compound Name: 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium)
• PubChem CID: 157379599
• Molecular Formula: C197H192B2Br2Ir2N5O4-3
• Molecular Weight: 3259.60 g/mol
• Exact Mass: 3257.28
• IUPAC Name: 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium)
• SMILES: CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc[c-]c(-c4nccc5ccccc45)c3)c2)cc1.CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(-c4[c-]cccc4)nc3)c2)cc1.Cc1cc(C)cc(C2(c3cc(C)cc(C)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1.Cc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(Br)cc4)ccc2-3)cc1.[Ir].[Ir]
• InChI: InChI=1S/C41H48B2O4.C41H34Br2N2.C41H38N.2C37H36N.2Ir/c1-25-17-26(2)20-29(19-25)41(30-21-27(3)18-28(4)22-30)35-23-31(42-44-37(5,6)38(7,8)45-42)13-15-33(35)34-16-14-32(24-36(34)41)43-46-39(9,10)40(11,12)47-43;1-27-5-13-31(14-6-27)44(33-17-9-29(42)10-18-33)35-21-23-37-38-24-22-36(26-40(38)41(3,4)39(37)25-35)45(32-15-7-28(2)8-16-32)34-19-11-30(43)12-20-34;1-40(2,3)36-18-14-28(15-19-36)33-25-34(29-16-20-37(21-17-29)41(4,5)6)27-35(26-33)31-11-9-12-32(24-31)39-38-13-8-7-10-30(38)22-23-42-39;1-36(2,3)33-17-13-26(14-18-33)30-23-31(27-15-19-34(20-16-27)37(4,5)6)25-32(24-30)28-10-9-11-29(22-28)35-12-7-8-21-38-35;1-36(2,3)33-17-12-26(13-18-33)30-22-31(27-14-19-34(20-15-27)37(4,5)6)24-32(23-30)29-16-21-35(38-25-29)28-10-8-7-9-11-28;;/h13-24H,1-12H3;5-26H,1-4H3;7-11,13-27H,1-6H3;2*7-10,12-25H,1-6H3;;/q;;3*-1
• InChIKey: YCYKUVLAMMRONN-UHFFFAOYSA-N
• XLogP: 52.54
• TPSA: 82.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3259.60
LogP ≤ 5	52.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium)?

The IUPAC name of 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium) (CID 157379599) is 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium).

What is the SMILES notation for 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium)?

The canonical SMILES for 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium) is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc[c-]c(-c4nccc5ccccc45)c3)c2)cc1.CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(-c4[c-]cccc4)nc3)c2)cc1.Cc1cc(C)cc(C2(c3cc(C)cc(C)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1.Cc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4ccc(Br)cc4)ccc2-3)cc1.[Ir].[Ir].

What is the InChIKey of 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium)?

The InChIKey is YCYKUVLAMMRONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48B2O4.C41H34Br2N2.C41H38N.2C37H36N.2Ir/c1-25-17-26(2)20-29(19-25)41(30-21-27(3)18-28(4)22-30)35-23-31(42-44-37(5,6)38(7,8)45-42)13-15-33(35)34-16-14-32(24-36(34)41)43-46-39(9,10)40(11,12)47-43;1-27-5-13-31(14-6-27)44(33-17-9-29(42)10-18-33)35-21-23-37-38-24-22-36(26-40(38)41(3,4)39(37)25-35)45(32-15-7-28(2)8-16-32)34-19-11-30(43)12-20-34;1-40(2,3)36-18-14-28(15-19-36)33-25-34(29-16-20-37(21-17-29)41(4,5)6)27-35(26-33)31-11-9-12-32(24-31)39-38-13-8-7-10-30(38)22-23-42-39;1-36(2,3)33-17-13-26(14-18-33)30-23-31(27-15-19-34(20-16-27)37(4,5)6)25-32(24-30)28-10-9-11-29(22-28)35-12-7-8-21-38-35;1-36(2,3)33-17-12-26(13-18-33)30-22-31(27-14-19-34(20-15-27)37(4,5)6)24-32(23-30)29-16-21-35(38-25-29)28-10-8-7-9-11-28;;/h13-24H,1-12H3;5-26H,1-4H3;7-11,13-27H,1-6H3;2*7-10,12-25H,1-6H3;;/q;;3*-1;;.

What are the key properties of 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium)?

2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium) has a molecular weight of 3259.60 g/mol, XLogP of 52.54, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-bis(4-bromophenyl)-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine;1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;5-[3,5-bis(4-tert-butylphenyl)phenyl]-2-phenylpyridine;2-[9,9-bis(3,5-dimethylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;bis(iridium) is sourced from PubChem (CID 157379599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).