5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

C199H134Ir4N14S4-4 — CID 158879189

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 158879189) has the molecular formula C199H134Ir4N14S4-4 and a molecular weight of 3618.49 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
• PubChem CID: 158879189
• Molecular Formula: C199H134Ir4N14S4-4
• Molecular Weight: 3618.49 g/mol
• Exact Mass: 3618.83
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6cc[c-]c(-c7nccc8ccccc78)c6)s5)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5csc(-c6cc[c-]c(-c7cc8ccccc8cn7)c6)c5)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5csc(-c6cc[c-]c(-c7cc8ccccc8cn7)c6)c5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.Cc1cccnc1-c1[c-]ccc(-c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C(C)(C)c3ccccc3-5)s2)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C55H36N5S.C52H36N5S.2C46H31N2S.4Ir/c1-55(2)46-23-12-11-22-42(46)43-30-45-44-27-37(41-29-51(61-33-41)39-21-13-20-38(26-39)48-28-36-18-9-10-19-40(36)32-56-48)24-25-49(44)60(50(45)31-47(43)55)54-58-52(34-14-5-3-6-15-34)57-53(59-54)35-16-7-4-8-17-35;1-32-14-13-27-53-48(32)37-20-12-19-35(28-37)46-25-26-47(58-46)36-23-24-44-40(29-36)41-30-39-38-21-10-11-22-42(38)52(2,3)43(39)31-45(41)57(44)51-55-49(33-15-6-4-7-16-33)54-50(56-51)34-17-8-5-9-18-34;1-46(2)39-18-9-8-17-35(39)36-27-38-37-26-31(19-20-41(37)48(42(38)28-40(36)46)33-14-4-3-5-15-33)44-22-21-43(49-44)30-12-10-13-32(25-30)45-34-16-7-6-11-29(34)23-24-47-45;1-46(2)40-18-9-8-17-36(40)37-25-39-38-22-30(19-20-43(38)48(44(39)26-41(37)46)35-15-4-3-5-16-35)34-24-45(49-28-34)32-14-10-13-31(21-32)42-23-29-11-6-7-12-33(29)27-47-42;;;;/h3-19,21-33H,1-2H3;4-19,21-31H,1-3H3;2*3-12,14-28H,1-2H3;;;;/q4*-1
• InChIKey: JOQAQCFCXLYQTF-UHFFFAOYSA-N
• XLogP: 52.19
• TPSA: 148.62 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3618.49
LogP ≤ 5	52.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (CID 158879189) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(-c6cc[c-]c(-c7nccc8ccccc78)c6)s5)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5csc(-c6cc[c-]c(-c7cc8ccccc8cn7)c6)c5)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-c5csc(-c6cc[c-]c(-c7cc8ccccc8cn7)c6)c5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.Cc1cccnc1-c1[c-]ccc(-c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C(C)(C)c3ccccc3-5)s2)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?

The InChIKey is JOQAQCFCXLYQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N5S.C52H36N5S.2C46H31N2S.4Ir/c1-55(2)46-23-12-11-22-42(46)43-30-45-44-27-37(41-29-51(61-33-41)39-21-13-20-38(26-39)48-28-36-18-9-10-19-40(36)32-56-48)24-25-49(44)60(50(45)31-47(43)55)54-58-52(34-14-5-3-6-15-34)57-53(59-54)35-16-7-4-8-17-35;1-32-14-13-27-53-48(32)37-20-12-19-35(28-37)46-25-26-47(58-46)36-23-24-44-40(29-36)41-30-39-38-21-10-11-22-42(38)52(2,3)43(39)31-45(41)57(44)51-55-49(33-15-6-4-7-16-33)54-50(56-51)34-17-8-5-9-18-34;1-46(2)39-18-9-8-17-35(39)36-27-38-37-26-31(19-20-41(37)48(42(38)28-40(36)46)33-14-4-3-5-15-33)44-22-21-43(49-44)30-12-10-13-32(25-30)45-34-16-7-6-11-29(34)23-24-47-45;1-46(2)40-18-9-8-17-36(40)37-25-39-38-22-30(19-20-43(38)48(44(39)26-41(37)46)35-15-4-3-5-16-35)34-24-45(49-28-34)32-14-10-13-31(21-32)42-23-29-11-6-7-12-33(29)27-47-42;;;;/h3-19,21-33H,1-2H3;4-19,21-31H,1-3H3;2*3-12,14-28H,1-2H3;;;;/q4*-1;;;;.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 3618.49 g/mol, XLogP of 52.19, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-[5-[3-(3-methyl-2-pyridinyl)benzene-4-id-1-yl]thiophen-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethylindeno[2,1-b]carbazole;tetrakis(iridium);2-[5-(3-isoquinolin-1-ylbenzene-4-id-1-yl)thiophen-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-[5-(3-isoquinolin-3-ylbenzene-4-id-1-yl)thiophen-3-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 158879189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).