diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine

C137H93Ir4N23O4P-3 — CID 160971506

About diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine

diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine (PubChem CID 160971506) has the molecular formula C137H93Ir4N23O4P-3 and a molecular weight of 2925.25 g/mol. Its IUPAC name is diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine.

Molecular Properties

• Compound Name: diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine
• PubChem CID: 160971506
• Molecular Formula: C137H93Ir4N23O4P-3
• Molecular Weight: 2925.25 g/mol
• Exact Mass: 2926.61
• IUPAC Name: diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine
• SMILES: CN1c2ccccc2N(c2[c-]c3c(-c4ccccn4)cccc3n2C)c2nc(-c3cccc4c3ncn4C)ccc21.Cn1ccnc1-n1ccc2ccc(-n3c4[c-]c(-n5c6ccccc6c6cccnc65)ccc4c4ccccc43)nc21.[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2cccc3cccnc23)cccc1N1c2ccccc2Oc2ccc(-n3c4ccccc4c4cccnc43)nc21.[c-]1c(O[PH+](c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1nc2c(-n3cccn3)coc2o1
• InChI: InChI=1S/C37H22N5O.C34H22N7.C34H26N7.C32H22N4O3P.4Ir/c1-2-16-30-28(13-1)29-15-8-22-39-36(29)42(30)34-20-19-33-37(40-34)41(31-17-3-4-18-32(31)43-33)26-12-5-10-25(23-26)27-14-6-9-24-11-7-21-38-35(24)27;1-38-20-18-36-34(38)39-19-16-22-12-15-31(37-32(22)39)41-29-11-5-2-7-24(29)26-14-13-23(21-30(26)41)40-28-10-4-3-8-25(28)27-9-6-17-35-33(27)40;1-38-21-36-33-23(11-9-16-30(33)38)26-17-18-31-34(37-26)41(29-14-5-4-13-28(29)39(31)2)32-20-24-22(25-12-6-7-19-35-25)10-8-15-27(24)40(32)3;1-4-12-24(13-5-1)36(32-34-30-29(23-37-31(30)38-32)35-21-11-20-33-35)25-14-10-15-26(22-25)39-40(27-16-6-2-7-17-27)28-18-8-3-9-19-28;;;;/h1-22H;2-20H,1H3;4-19,21H,1-3H3;1-21,23H;;;;/q4*-1;;;;/p+1
• InChIKey: QLDQDRPMTFEULJ-UHFFFAOYSA-O
• XLogP: 30.88
• TPSA: 238.93 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2925.25
LogP ≤ 5	30.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

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 diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine?

The IUPAC name of diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine (CID 160971506) is diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine.

What is the SMILES notation for diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine?

The canonical SMILES for diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine is CN1c2ccccc2N(c2[c-]c3c(-c4ccccn4)cccc3n2C)c2nc(-c3cccc4c3ncn4C)ccc21.Cn1ccnc1-n1ccc2ccc(-n3c4[c-]c(-n5c6ccccc6c6cccnc65)ccc4c4ccccc43)nc21.[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2cccc3cccnc23)cccc1N1c2ccccc2Oc2ccc(-n3c4ccccc4c4cccnc43)nc21.[c-]1c(O[PH+](c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1nc2c(-n3cccn3)coc2o1.

What is the InChIKey of diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine?

The InChIKey is QLDQDRPMTFEULJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C37H22N5O.C34H22N7.C34H26N7.C32H22N4O3P.4Ir/c1-2-16-30-28(13-1)29-15-8-22-39-36(29)42(30)34-20-19-33-37(40-34)41(31-17-3-4-18-32(31)43-33)26-12-5-10-25(23-26)27-14-6-9-24-11-7-21-38-35(24)27;1-38-20-18-36-34(38)39-19-16-22-12-15-31(37-32(22)39)41-29-11-5-2-7-24(29)26-14-13-23(21-30(26)41)40-28-10-4-3-8-25(28)27-9-6-17-35-33(27)40;1-38-21-36-33-23(11-9-16-30(33)38)26-17-18-31-34(37-26)41(29-14-5-4-13-28(29)39(31)2)32-20-24-22(25-12-6-7-19-35-25)10-8-15-27(24)40(32)3;1-4-12-24(13-5-1)36(32-34-30-29(23-37-31(30)38-32)35-21-11-20-33-35)25-14-10-15-26(22-25)39-40(27-16-6-2-7-17-27)28-18-8-3-9-19-28;;;;/h1-22H;2-20H,1H3;4-19,21H,1-3H3;1-21,23H;;;;/q4*-1;;;;/p+1.

What are the key properties of diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine?

diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine has a molecular weight of 2925.25 g/mol, XLogP of 30.88, 17 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[3-(N-(6-pyrazol-1-ylfuro[3,2-d][1,3]oxazol-2-yl)anilino)benzene-2-id-1-yl]oxyphosphanium;tetrakis(iridium);9-[9-[1-(1-methylimidazol-2-yl)pyrrolo[2,3-b]pyridin-6-yl]-1H-carbazol-1-id-2-yl]pyrido[2,3-b]indole;5-methyl-2-(1-methylbenzimidazol-4-yl)-10-(1-methyl-4-pyridin-2-yl-3H-indol-3-id-2-yl)pyrido[3,2-b]quinoxaline;2-pyrido[2,3-b]indol-9-yl-10-(3-quinolin-8-ylbenzene-2-id-1-yl)pyrido[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 160971506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).