3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine

C174H131IrN9OS2-2 — CID 159234491

About 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine

3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine (PubChem CID 159234491) has the molecular formula C174H131IrN9OS2-2 and a molecular weight of 2630.44 g/mol. Its IUPAC name is 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 159234491
• Molecular Formula: C174H131IrN9OS2-2
• Molecular Weight: 2630.44 g/mol
• Exact Mass: 2629.02
• IUPAC Name: 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
• SMILES: C.C.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C4([2H])CC5CCC4C5)ccn3)[c-]ccc12.[H][H].[H][H].[Ir].c1ccc(-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C48H31N3.C45H29N3S.C42H26S.C24H21N2O.C13H12N.2CH4.Ir.2H2/c1-3-13-34(14-4-1)49-43-20-10-7-17-37(43)40-29-32(23-26-46(40)49)33-24-27-47-41(30-33)38-18-8-12-22-45(38)51(47)36-25-28-48-42(31-36)39-19-9-11-21-44(39)50(48)35-15-5-2-6-16-35;1-4-13-30(14-5-1)31-25-27-32(28-26-31)37-21-11-23-39-40-24-12-22-38(42(40)49-41(37)39)35-19-10-20-36(29-35)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-14-5-8-19-18-3-2-4-20(23(18)27-24(19)26-14)22-13-17(9-10-25-22)21-12-15-6-7-16(21)11-15;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h1-31H;1-29H;1-26H;2-3,5,8-10,13,15-16,21H,6-7,11-12H2,1H3;3-6,8-9H,1-2H3;2*1H4;;2*1H/q;;;2*-1;;;;;/i;;;1D3,21D;1D3,2D3
• InChIKey: PDMNXHGNOKETTM-PLOJJPPLSA-N
• XLogP: 48.38
• TPSA: 105.27 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2630.44
LogP ≤ 5	48.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine (CID 159234491) is 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine is C.C.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C4([2H])CC5CCC4C5)ccn3)[c-]ccc12.[H][H].[H][H].[Ir].c1ccc(-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc34)cc2)cc1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.

What is the InChIKey of 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is PDMNXHGNOKETTM-PLOJJPPLSA-N. The full InChI is InChI=1S/C48H31N3.C45H29N3S.C42H26S.C24H21N2O.C13H12N.2CH4.Ir.2H2/c1-3-13-34(14-4-1)49-43-20-10-7-17-37(43)40-29-32(23-26-46(40)49)33-24-27-47-41(30-33)38-18-8-12-22-45(38)51(47)36-25-28-48-42(31-36)39-19-9-11-21-44(39)50(48)35-15-5-2-6-16-35;1-4-13-30(14-5-1)31-25-27-32(28-26-31)37-21-11-23-39-40-24-12-22-38(42(40)49-41(37)39)35-19-10-20-36(29-35)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-14-5-8-19-18-3-2-4-20(23(18)27-24(19)26-14)22-13-17(9-10-25-22)21-12-15-6-7-16(21)11-15;1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;;/h1-31H;1-29H;1-26H;2-3,5,8-10,13,15-16,21H,6-7,11-12H2,1H3;3-6,8-9H,1-2H3;2*1H4;;2*1H/q;;;2*-1;;;;;/i;;;1D3,21D;1D3,2D3;;;;;.

What are the key properties of 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?

3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2630.44 g/mol, XLogP of 48.38, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,9-bis(9-phenylcarbazol-3-yl)carbazole;8-[4-(2-deuterio-2-bicyclo[2.2.1]heptanyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2,4-diphenyl-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;iridium;methane;molecular hydrogen;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159234491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).