tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium

C133H93Ir4N23O3P-3 — CID 159633120

About tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium

tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium (PubChem CID 159633120) has the molecular formula C133H93Ir4N23O3P-3 and a molecular weight of 2861.21 g/mol. Its IUPAC name is tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium.

Molecular Properties

• Compound Name: tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium
• PubChem CID: 159633120
• Molecular Formula: C133H93Ir4N23O3P-3
• Molecular Weight: 2861.21 g/mol
• Exact Mass: 2862.61
• IUPAC Name: tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium
• SMILES: CN1c2ccccc2N(c2nc3c(-c4ccccn4)cccc3n2C)c2nc(-c3cccc4c3[c-]cn4C)ccc21.Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cccnc65)nc43)nc21.[Ir].[Ir].[Ir].[Ir].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7ccccc7c7cccnc76)nc54)n3)c12.[c-]1ccccc1C[PH+](CN(c1ccccc1)c1nc2c(-n3cccn3)coc2o1)c1ccccc1
• InChI: InChI=1S/C37H22N5O.C34H22N7.C34H26N7.C28H22N4O2P.4Ir/c1-2-12-25-24(10-1)11-7-14-26(25)29-16-8-20-34(39-29)42-31-18-5-6-19-32(31)43-33-21-22-35(40-37(33)42)41-30-17-4-3-13-27(30)28-15-9-23-38-36(28)41;1-38-20-7-13-31(38)39-21-18-22-14-16-29(36-32(22)39)41-28-12-5-3-9-24(28)26-15-17-30(37-34(26)41)40-27-11-4-2-8-23(27)25-10-6-19-35-33(25)40;1-38-21-19-23-22(10-8-15-27(23)38)26-17-18-31-33(36-26)41(29-14-5-4-13-28(29)39(31)2)34-37-32-24(25-12-6-7-20-35-25)11-9-16-30(32)40(34)3;1-4-11-22(12-5-1)20-35(24-15-8-3-9-16-24)21-31(23-13-6-2-7-14-23)28-30-26-25(19-33-27(26)34-28)32-18-10-17-29-32;;;;/h1-11,13-23H;2-12,14-21H,1H3;4-18,20-21H,1-3H3;1-11,13-19H,20-21H2;;;;/q4*-1;;;;/p+1
• InChIKey: VQZJDOORNGSWQO-UHFFFAOYSA-O
• XLogP: 30.09
• TPSA: 229.70 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2861.21
LogP ≤ 5	30.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium?

The IUPAC name of tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium (CID 159633120) is tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium.

What is the SMILES notation for tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium?

The canonical SMILES for tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium is CN1c2ccccc2N(c2nc3c(-c4ccccn4)cccc3n2C)c2nc(-c3cccc4c3[c-]cn4C)ccc21.Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cccnc65)nc43)nc21.[Ir].[Ir].[Ir].[Ir].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7ccccc7c7cccnc76)nc54)n3)c12.[c-]1ccccc1C[PH+](CN(c1ccccc1)c1nc2c(-n3cccn3)coc2o1)c1ccccc1.

What is the InChIKey of tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium?

The InChIKey is VQZJDOORNGSWQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C37H22N5O.C34H22N7.C34H26N7.C28H22N4O2P.4Ir/c1-2-12-25-24(10-1)11-7-14-26(25)29-16-8-20-34(39-29)42-31-18-5-6-19-32(31)43-33-21-22-35(40-37(33)42)41-30-17-4-3-13-27(30)28-15-9-23-38-36(28)41;1-38-20-7-13-31(38)39-21-18-22-14-16-29(36-32(22)39)41-28-12-5-3-9-24(28)26-15-17-30(37-34(26)41)40-27-11-4-2-8-23(27)25-10-6-19-35-33(25)40;1-38-21-19-23-22(10-8-15-27(23)38)26-17-18-31-33(36-26)41(29-14-5-4-13-28(29)39(31)2)34-37-32-24(25-12-6-7-20-35-25)11-9-16-30(32)40(34)3;1-4-11-22(12-5-1)20-35(24-15-8-3-9-16-24)21-31(23-13-6-2-7-14-23)28-30-26-25(19-33-27(26)34-28)32-18-10-17-29-32;;;;/h1-11,13-23H;2-12,14-21H,1H3;4-18,20-21H,1-3H3;1-11,13-19H,20-21H2;;;;/q4*-1;;;;/p+1.

What are the key properties of tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium?

tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium has a molecular weight of 2861.21 g/mol, XLogP of 30.09, 17 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);5-methyl-2-(1-methyl-3H-indol-3-id-4-yl)-10-(1-methyl-4-pyridin-2-ylbenzimidazol-2-yl)pyrido[3,2-b]quinoxaline;9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-2-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indole;10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyrido[2,3-b]indol-9-ylpyrido[3,2-b][1,4]benzoxazine;phenyl-(phenylmethyl)-[(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)methyl]phosphanium is sourced from PubChem (CID 159633120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).