9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide

C134H77Au4B4N7O5 — CID 158322005

About 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide

9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide (PubChem CID 158322005) has the molecular formula C134H77Au4B4N7O5 and a molecular weight of 2696.25 g/mol. Its IUPAC name is 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide
• PubChem CID: 158322005
• Molecular Formula: C134H77Au4B4N7O5
• Molecular Weight: 2696.25 g/mol
• Exact Mass: 2695.50
• IUPAC Name: 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide
• SMILES: [Au+3].[Au+3].[Au+3].[Au+3].[c-]1c(Oc2[c-]c(-n3c4[c-]cccc4c4ccccc43)ccc2)cccc1B1c2ccccc2-c2cccnc21.[c-]1c(Oc2[c-]c3c(cc2)-c2ccccc2B3c2ccccn2)cccc1-n1c2[c-]cccc2c2ccccc21.[c-]1ccccc1-n1c2[c-]c(Oc3[c-]c4c(cc3)-c3ccccc3B4c3ccccn3)ccc2c2ccccc21.[c-]1ccccc1Oc1[c-]c(Oc2[c-]c3c(cc2)-c2ccccc2B3c2ccccn2)ccc1
• InChI: InChI=1S/3C35H20BN2O.C29H17BNO2.4Au/c1-4-18-32-28(14-1)31-17-9-21-37-35(31)36(32)24-10-7-12-26(22-24)39-27-13-8-11-25(23-27)38-33-19-5-2-15-29(33)30-16-3-6-20-34(30)38;1-4-15-31-27(12-1)28-20-19-26(23-32(28)36(31)35-18-7-8-21-37-35)39-25-11-9-10-24(22-25)38-33-16-5-2-13-29(33)30-14-3-6-17-34(30)38;1-2-10-24(11-3-1)38-33-15-7-5-13-29(33)30-20-18-26(23-34(30)38)39-25-17-19-28-27-12-4-6-14-31(27)36(32(28)22-25)35-16-8-9-21-37-35;1-2-9-21(10-3-1)32-22-11-8-12-23(19-22)33-24-16-17-26-25-13-4-5-14-27(25)30(28(26)20-24)29-15-6-7-18-31-29;;;;/h1-19,21H;1-16,18-21H;1-10,12-21H;1-9,11-18H;;;;/q4*-3;4*+3
• InChIKey: YFGFTWYCQBULPY-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 112.50 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2696.25
LogP ≤ 5	22.16
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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

The IUPAC name of 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide (CID 158322005) is 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide.

What is the SMILES notation for 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

The canonical SMILES for 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide is [Au+3].[Au+3].[Au+3].[Au+3].[c-]1c(Oc2[c-]c(-n3c4[c-]cccc4c4ccccc43)ccc2)cccc1B1c2ccccc2-c2cccnc21.[c-]1c(Oc2[c-]c3c(cc2)-c2ccccc2B3c2ccccn2)cccc1-n1c2[c-]cccc2c2ccccc21.[c-]1ccccc1-n1c2[c-]c(Oc3[c-]c4c(cc3)-c3ccccc3B4c3ccccn3)ccc2c2ccccc21.[c-]1ccccc1Oc1[c-]c(Oc2[c-]c3c(cc2)-c2ccccc2B3c2ccccn2)ccc1.

What is the InChIKey of 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

The InChIKey is YFGFTWYCQBULPY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C35H20BN2O.C29H17BNO2.4Au/c1-4-18-32-28(14-1)31-17-9-21-37-35(31)36(32)24-10-7-12-26(22-24)39-27-13-8-11-25(23-27)38-33-19-5-2-15-29(33)30-16-3-6-20-34(30)38;1-4-15-31-27(12-1)28-20-19-26(23-32(28)36(31)35-18-7-8-21-37-35)39-25-11-9-10-24(22-25)38-33-16-5-2-13-29(33)30-14-3-6-17-34(30)38;1-2-10-24(11-3-1)38-33-15-7-5-13-29(33)30-20-18-26(23-34(30)38)39-25-17-19-28-27-12-4-6-14-31(27)36(32(28)22-25)35-16-8-9-21-37-35;1-2-9-21(10-3-1)32-22-11-8-12-23(19-22)33-24-16-17-26-25-13-4-5-14-27(25)30(28(26)20-24)29-15-6-7-18-31-29;;;;/h1-19,21H;1-16,18-21H;1-10,12-21H;1-9,11-18H;;;;/q4*-3;4*+3.

What are the key properties of 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide?

9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide has a molecular weight of 2696.25 g/mol, XLogP of 22.16, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-(1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-[1]benzoborolo[2,3-b]pyridine;tetrakis(gold(3+));2-[3-[3-(phenoxy)benzene-2-id-1-yl]oxy-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;9-phenyl-2-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]-1H-carbazol-1-ide;9-[3-[(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide is sourced from PubChem (CID 158322005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).