3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine

C139H116Au4N12O4 — CID 159888423

About 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine

3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine (PubChem CID 159888423) has the molecular formula C139H116Au4N12O4 and a molecular weight of 2806.40 g/mol. Its IUPAC name is 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine.

Molecular Properties

• Compound Name: 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine
• PubChem CID: 159888423
• Molecular Formula: C139H116Au4N12O4
• Molecular Weight: 2806.40 g/mol
• Exact Mass: 2804.79
• IUPAC Name: 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine
• SMILES: CC(C)(C)c1ccc2c(c1)C(c1[c-]c(Oc3[c-]c(-c4[n-]nc5ccccc45)ccc3)ccc1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CCCCC(CCCC)(c1[c-]c(Oc2[c-]c(-c3ncc[n-]3)ccc2)ccc1)c1ccccn1.Cc1cc(-c2[c-]c(Oc3[c-]c(C(c4ccccc4)c4ccccn4)ccc3)ccc2)[n-]n1.Cc1cc(-c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5ccccc5C(C)(C)c5ccccc54)ccc3)ccc2)[n-]n1.[Au+3].[Au+3].[Au+3].[Au+3]
• InChI: InChI=1S/C45H38N3O.C37H28N3O.C29H30N3O.C28H20N3O.4Au/c1-43(2,3)30-20-22-35-36-23-21-31(44(4,5)6)28-39(36)45(38(35)27-30,41-19-9-10-24-46-41)32-14-12-16-34(26-32)49-33-15-11-13-29(25-33)42-37-17-7-8-18-40(37)47-48-42;1-25-22-34(40-39-25)26-12-10-14-28(23-26)41-29-15-11-13-27(24-29)37(35-20-8-9-21-38-35)32-18-6-4-16-30(32)36(2,3)31-17-5-7-19-33(31)37;1-3-5-16-29(17-6-4-2,27-15-7-8-18-30-27)24-12-10-14-26(22-24)33-25-13-9-11-23(21-25)28-31-19-20-32-28;1-20-17-27(31-30-20)22-11-7-13-24(18-22)32-25-14-8-12-23(19-25)28(21-9-3-2-4-10-21)26-15-5-6-16-29-26;;;;/h7-24,27-28H,1-6H3;4-22H,1-3H3;7-15,18-20H,3-6,16-17H2,1-2H3;2-17,28H,1H3;;;;/q4*-3;4*+3
• InChIKey: XSPHWLVQEBCWOP-UHFFFAOYSA-N
• XLogP: 31.56
• TPSA: 196.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2806.40
LogP ≤ 5	31.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine?

The IUPAC name of 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine (CID 159888423) is 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine.

What is the SMILES notation for 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine?

The canonical SMILES for 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine is CC(C)(C)c1ccc2c(c1)C(c1[c-]c(Oc3[c-]c(-c4[n-]nc5ccccc45)ccc3)ccc1)(c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CCCCC(CCCC)(c1[c-]c(Oc2[c-]c(-c3ncc[n-]3)ccc2)ccc1)c1ccccn1.Cc1cc(-c2[c-]c(Oc3[c-]c(C(c4ccccc4)c4ccccn4)ccc3)ccc2)[n-]n1.Cc1cc(-c2[c-]c(Oc3[c-]c(C4(c5ccccn5)c5ccccc5C(C)(C)c5ccccc54)ccc3)ccc2)[n-]n1.[Au+3].[Au+3].[Au+3].[Au+3].

What is the InChIKey of 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine?

The InChIKey is XSPHWLVQEBCWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N3O.C37H28N3O.C29H30N3O.C28H20N3O.4Au/c1-43(2,3)30-20-22-35-36-23-21-31(44(4,5)6)28-39(36)45(38(35)27-30,41-19-9-10-24-46-41)32-14-12-16-34(26-32)49-33-15-11-13-29(25-33)42-37-17-7-8-18-40(37)47-48-42;1-25-22-34(40-39-25)26-12-10-14-28(23-26)41-29-15-11-13-27(24-29)37(35-20-8-9-21-38-35)32-18-6-4-16-30(32)36(2,3)31-17-5-7-19-33(31)37;1-3-5-16-29(17-6-4-2,27-15-7-8-18-30-27)24-12-10-14-26(22-24)33-25-13-9-11-23(21-25)28-31-19-20-32-28;1-20-17-27(31-30-20)22-11-7-13-24(18-22)32-25-14-8-12-23(19-25)28(21-9-3-2-4-10-21)26-15-5-6-16-29-26;;;;/h7-24,27-28H,1-6H3;4-22H,1-3H3;7-15,18-20H,3-6,16-17H2,1-2H3;2-17,28H,1H3;;;;/q4*-3;4*+3.

What are the key properties of 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine?

3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine has a molecular weight of 2806.40 g/mol, XLogP of 31.56, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]indazol-2-ide;2-[10,10-dimethyl-9-[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]anthracen-9-yl]pyridine;tetrakis(gold(3+));2-[5-[3-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]nonan-5-yl]pyridine;2-[[3-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-phenylmethyl]pyridine is sourced from PubChem (CID 159888423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).