7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine

C132H107BIr4N10O6-4 — CID 158615516

About 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine

7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine (PubChem CID 158615516) has the molecular formula C132H107BIr4N10O6-4 and a molecular weight of 2709.05 g/mol. Its IUPAC name is 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine.

Molecular Properties

• Compound Name: 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine
• PubChem CID: 158615516
• Molecular Formula: C132H107BIr4N10O6-4
• Molecular Weight: 2709.05 g/mol
• Exact Mass: 2710.70
• IUPAC Name: 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c2c(c1)B(c1c(C(C)C)cccc1C(C)C)c1cccnc1-2.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2cccc3ccccc23)cc2c1c1ncccc1n2-c1ccccc1.[c-]1cc(-c2ccccc2)cc2c1c1ncccc1n2-c1ccccc1.[c-]1cc(N(c2ccccc2)c2ccccc2)cc2c1c1ncccc1n2-c1ccccc1
• InChI: InChI=1S/C37H34BN2.C29H20N3.C27H17N2.C23H15N2.C6H5NO2.2C5H8O2.4Ir/c1-22(2)27-9-7-10-28(23(3)4)36(27)38-32-11-8-18-39-37(32)29-15-14-26(21-33(29)38)40-34-16-12-24(5)19-30(34)31-20-25(6)13-17-35(31)40;1-4-11-22(12-5-1)31(23-13-6-2-7-14-23)25-18-19-26-28(21-25)32(24-15-8-3-9-16-24)27-17-10-20-30-29(26)27;1-2-10-21(11-3-1)29-25-14-7-17-28-27(25)24-16-15-20(18-26(24)29)23-13-6-9-19-8-4-5-12-22(19)23;1-3-8-17(9-4-1)18-13-14-20-22(16-18)25(19-10-5-2-6-11-19)21-12-7-15-24-23(20)21;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h7-14,16-23H,1-6H3;1-18,20-21H;1-15,17-18H;1-13,15-16H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;/q4*-1
• InChIKey: AMYBDABGRVJWMN-UHFFFAOYSA-N
• XLogP: 30.08
• TPSA: 199.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2709.05
LogP ≤ 5	30.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine?

The IUPAC name of 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine (CID 158615516) is 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine.

What is the SMILES notation for 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine?

The canonical SMILES for 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c[c-]c2c(c1)B(c1c(C(C)C)cccc1C(C)C)c1cccnc1-2.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2cccc3ccccc23)cc2c1c1ncccc1n2-c1ccccc1.[c-]1cc(-c2ccccc2)cc2c1c1ncccc1n2-c1ccccc1.[c-]1cc(N(c2ccccc2)c2ccccc2)cc2c1c1ncccc1n2-c1ccccc1.

What is the InChIKey of 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine?

The InChIKey is AMYBDABGRVJWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34BN2.C29H20N3.C27H17N2.C23H15N2.C6H5NO2.2C5H8O2.4Ir/c1-22(2)27-9-7-10-28(23(3)4)36(27)38-32-11-8-18-39-37(32)29-15-14-26(21-33(29)38)40-34-16-12-24(5)19-30(34)31-20-25(6)13-17-35(31)40;1-4-11-22(12-5-1)31(23-13-6-2-7-14-23)25-18-19-26-28(21-25)32(24-15-8-3-9-16-24)27-17-10-20-30-29(26)27;1-2-10-21(11-3-1)29-25-14-7-17-28-27(25)24-16-15-20(18-26(24)29)23-13-6-9-19-8-4-5-12-22(19)23;1-3-8-17(9-4-1)18-13-14-20-22(16-18)25(19-10-5-2-6-11-19)21-12-7-15-24-23(20)21;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h7-14,16-23H,1-6H3;1-18,20-21H;1-15,17-18H;1-13,15-16H;1-4H,(H,8,9);2*3,6H,1-2H3;;;;/q4*-1;;;;;;;.

What are the key properties of 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine?

7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine has a molecular weight of 2709.05 g/mol, XLogP of 30.08, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,6-dimethylcarbazol-9-yl)-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide;5,7-diphenyl-9H-pyrido[3,2-b]indol-9-ide;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);7-naphthalen-1-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;pyridine-2-carboxylic acid;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine is sourced from PubChem (CID 158615516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).