5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole

C117H105Ir4N11O16-4 — CID 157250881

About 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole

5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole (PubChem CID 157250881) has the molecular formula C117H105Ir4N11O16-4 and a molecular weight of 2690.06 g/mol. Its IUPAC name is 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole
• PubChem CID: 157250881
• Molecular Formula: C117H105Ir4N11O16-4
• Molecular Weight: 2690.06 g/mol
• Exact Mass: 2691.63
• IUPAC Name: 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1c[c-]c(-c2cc(-n3c4ccccc4c4ncccc43)ccn2)c(OC)c1.COc1ccnc(-c2[c-]cc(-n3c4ccccc4c4ccccc43)cc2OC)c1.COc1ccnc(-c2[c-]cc(-n3c4ccccc4c4ncccc43)cc2OC)c1.COc1ccnc(-c2[c-]cc(OC)cc2-n2c3ccccc3c3ncccc32)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C25H19N2O2.3C24H18N3O2.4C5H8O2.4Ir/c1-28-18-13-14-26-22(16-18)21-12-11-17(15-25(21)29-2)27-23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-28-17-9-10-18(23(15-17)29-2)20-14-16(11-13-25-20)27-21-7-4-3-6-19(21)24-22(27)8-5-12-26-24;1-28-16-9-10-18(20-14-17(29-2)11-13-25-20)23(15-16)27-21-7-4-3-6-19(21)24-22(27)8-5-12-26-24;1-28-17-11-13-25-20(15-17)18-10-9-16(14-23(18)29-2)27-21-7-4-3-6-19(21)24-22(27)8-5-12-26-24;4*1-4(6)3-5(2)7;;;;/h3-11,13-16H,1-2H3;3*3-9,11-15H,1-2H3;4*3,6H,1-2H3;;;;/q4*-1
• InChIKey: XNVNYJVWVAYIMA-UHFFFAOYSA-N
• XLogP: 24.98
• TPSA: 332.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2690.06
LogP ≤ 5	24.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole?

The IUPAC name of 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole (CID 157250881) is 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1c[c-]c(-c2cc(-n3c4ccccc4c4ncccc43)ccn2)c(OC)c1.COc1ccnc(-c2[c-]cc(-n3c4ccccc4c4ccccc43)cc2OC)c1.COc1ccnc(-c2[c-]cc(-n3c4ccccc4c4ncccc43)cc2OC)c1.COc1ccnc(-c2[c-]cc(OC)cc2-n2c3ccccc3c3ncccc32)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole?

The InChIKey is XNVNYJVWVAYIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N2O2.3C24H18N3O2.4C5H8O2.4Ir/c1-28-18-13-14-26-22(16-18)21-12-11-17(15-25(21)29-2)27-23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-28-17-9-10-18(23(15-17)29-2)20-14-16(11-13-25-20)27-21-7-4-3-6-19(21)24-22(27)8-5-12-26-24;1-28-16-9-10-18(20-14-17(29-2)11-13-25-20)23(15-16)27-21-7-4-3-6-19(21)24-22(27)8-5-12-26-24;1-28-17-11-13-25-20(15-17)18-10-9-16(14-23(18)29-2)27-21-7-4-3-6-19(21)24-22(27)8-5-12-26-24;4*1-4(6)3-5(2)7;;;;/h3-11,13-16H,1-2H3;3*3-9,11-15H,1-2H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole?

5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole has a molecular weight of 2690.06 g/mol, XLogP of 24.98, 20 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);9-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]carbazole;5-[3-methoxy-4-(4-methoxy-2-pyridinyl)benzene-5-id-1-yl]pyrido[3,2-b]indole;5-[5-methoxy-2-(4-methoxy-2-pyridinyl)benzene-3-id-1-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 157250881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).