copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid

C191H122CuF3Ir2N18O2- — CID 158247939

About copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid

copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid (PubChem CID 158247939) has the molecular formula C191H122CuF3Ir2N18O2- and a molecular weight of 3206.17 g/mol. Its IUPAC name is copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid
• PubChem CID: 158247939
• Molecular Formula: C191H122CuF3Ir2N18O2-
• Molecular Weight: 3206.17 g/mol
• Exact Mass: 3204.85
• IUPAC Name: copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid
• SMILES: Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.O=C(O)c1ccccn1.[Cu+2].[Ir].[Ir].c1ccc(-c2ccc3nc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)cn3c2)cc1.c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)nc3ccccc32)cc1.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C54H36N4.2C43H28N2.C32H16N8.C13H9F3N.C6H5NO2.Cu.2Ir/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-2-14-34(15-3-1)45-40-21-11-10-20-39(40)44-43(45)31-25-23-30(24-26-31)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-27-22-29-12-4-5-13-32(29)28-33;1-2-10-29(11-3-1)35-24-25-41-44-40(28-45(41)27-35)31-19-21-32(22-20-31)42-36-14-6-8-16-38(36)43(39-17-9-7-15-37(39)42)34-23-18-30-12-4-5-13-33(30)26-34;1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;1-9-6-10(12-4-2-3-5-17-12)8-11(7-9)13(14,15)16;8-6(9)5-3-1-2-4-7-5;;;/h1-36H;2*1-28H;1-16H;2-7H,1H3;1-4H,(H,8,9);;;/q;;;-2;-1;;+2
• InChIKey: BBLYFVNQYSVQLZ-UHFFFAOYSA-N
• XLogP: 48.17
• TPSA: 221.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3206.17
LogP ≤ 5	48.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid?

The IUPAC name of copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid (CID 158247939) is copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid.

What is the SMILES notation for copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid?

The canonical SMILES for copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid is Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)c1.O=C(O)c1ccccn1.[Cu+2].[Ir].[Ir].c1ccc(-c2ccc3nc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4)cn3c2)cc1.c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)nc3ccccc32)cc1.c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid?

The InChIKey is BBLYFVNQYSVQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4.2C43H28N2.C32H16N8.C13H9F3N.C6H5NO2.Cu.2Ir/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-2-14-34(15-3-1)45-40-21-11-10-20-39(40)44-43(45)31-25-23-30(24-26-31)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-27-22-29-12-4-5-13-32(29)28-33;1-2-10-29(11-3-1)35-24-25-41-44-40(28-45(41)27-35)31-19-21-32(22-20-31)42-36-14-6-8-16-38(36)43(39-17-9-7-15-37(39)42)34-23-18-30-12-4-5-13-33(30)26-34;1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;1-9-6-10(12-4-2-3-5-17-12)8-11(7-9)13(14,15)16;8-6(9)5-3-1-2-4-7-5;;;/h1-36H;2*1-28H;1-16H;2-7H,1H3;1-4H,(H,8,9);;;/q;;;-2;-1;;+2;;.

What are the key properties of copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid?

copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid has a molecular weight of 3206.17 g/mol, XLogP of 48.17, 16 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for copper;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;bis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylimidazo[1,2-a]pyridine;pyridine-2-carboxylic acid is sourced from PubChem (CID 158247939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).