tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)

C169H152Br10Ir2N6O4S4-4 — CID 161160059

About tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)

tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium) (PubChem CID 161160059) has the molecular formula C169H152Br10Ir2N6O4S4-4 and a molecular weight of 3642.85 g/mol. Its IUPAC name is tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium).

Molecular Properties

• Compound Name: tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)
• PubChem CID: 161160059
• Molecular Formula: C169H152Br10Ir2N6O4S4-4
• Molecular Weight: 3642.85 g/mol
• Exact Mass: 3632.19
• IUPAC Name: tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)
• SMILES: Brc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1.Brc1cccc(-c2cccc(Br)c2)c1.Brc1ccccc1-c1ccccc1Br.CCCCCCCCC1(CC(O)CC(C)O)c2cc(C)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCC(O)CC(C)O)c2cc(C)ccc2-c2ccc(Br)cc21.CCn1c2ccc(Br)cc2c2cc(Br)ccc21.[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12
• InChI: InChI=1S/C28H39BrO2.C27H37BrO2.C24H17Br2N.C14H11Br2N.4C13H8NS.2C12H8Br2.2Ir/c1-4-5-6-7-8-9-15-28(16-14-23(31)18-21(3)30)26-17-20(2)10-12-24(26)25-13-11-22(29)19-27(25)28;1-4-5-6-7-8-9-14-27(18-22(30)16-20(3)29)25-15-19(2)10-12-23(25)24-13-11-21(28)17-26(24)27;25-20-8-14-23(15-9-20)27(24-16-10-21(26)11-17-24)22-12-6-19(7-13-22)18-4-2-1-3-5-18;1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17;4*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;;/h10-13,17,19,21,23,30-31H,4-9,14-16,18H2,1-3H3;10-13,15,17,20,22,29-30H,4-9,14,16,18H2,1-3H3;1-17H;3-8H,2H2,1H3;4*1-8H;2*1-8H;;/q;;;;4*-1
• InChIKey: CMMFXFSRLHGBHZ-UHFFFAOYSA-N
• XLogP: 53.48
• TPSA: 140.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 34
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3642.85
LogP ≤ 5	53.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)?

The IUPAC name of tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium) (CID 161160059) is tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium).

What is the SMILES notation for tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)?

The canonical SMILES for tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium) is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1.Brc1cccc(-c2cccc(Br)c2)c1.Brc1ccccc1-c1ccccc1Br.CCCCCCCCC1(CC(O)CC(C)O)c2cc(C)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCC(O)CC(C)O)c2cc(C)ccc2-c2ccc(Br)cc21.CCn1c2ccc(Br)cc2c2cc(Br)ccc21.[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.

What is the InChIKey of tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)?

The InChIKey is CMMFXFSRLHGBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39BrO2.C27H37BrO2.C24H17Br2N.C14H11Br2N.4C13H8NS.2C12H8Br2.2Ir/c1-4-5-6-7-8-9-15-28(16-14-23(31)18-21(3)30)26-17-20(2)10-12-24(26)25-13-11-22(29)19-27(25)28;1-4-5-6-7-8-9-14-27(18-22(30)16-20(3)29)25-15-19(2)10-12-23(25)24-13-11-21(28)17-26(24)27;25-20-8-14-23(15-9-20)27(24-16-10-21(26)11-17-24)22-12-6-19(7-13-22)18-4-2-1-3-5-18;1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17;4*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14;;/h10-13,17,19,21,23,30-31H,4-9,14-16,18H2,1-3H3;10-13,15,17,20,22,29-30H,4-9,14,16,18H2,1-3H3;1-17H;3-8H,2H2,1H3;4*1-8H;2*1-8H;;/q;;;;4*-1;;;;.

What are the key properties of tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)?

tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium) has a molecular weight of 3642.85 g/mol, XLogP of 53.48, 34 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium) is sourced from PubChem (CID 161160059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).