2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine

C129H84B5N12O4PPt4S — CID 160889322

IUPAC2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine
SMILES[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3B(c3ccccc3)c3ccccc32)cccc1-n1cccn1.[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cccc1-n1cccn1.[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3P(c3ccccc3)c3ccccc32)cccc1-n1cccn1.[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3Sc3ccccc32)cccc1-n1cccn1
InChIInChI=1S/C39H26BN3O.C32H21B2N3O.C32H21BN3OP.C26H16BN3OS.4Pt/c1-3-13-29(14-4-1)39(30-15-5-2-6-16-30)34-19-7-8-20-36(34)40(31-17-11-18-32(27-31)43-26-12-25-42-43)37-28-33(22-23-35(37)39)44-38-21-9-10-24-41-38;1-2-10-24(11-3-1)33-28-14-4-5-15-29(28)34(25-12-8-13-26(22-25)37-21-9-20-36-37)31-23-27(17-18-30(31)33)38-32-16-6-7-19-35-32;1-2-12-27(13-3-1)38-30-15-5-4-14-28(30)33(24-10-8-11-25(22-24)36-21-9-20-35-36)29-23-26(17-18-31(29)38)37-32-16-6-7-19-34-32;1-2-10-24-22(9-1)27(19-7-5-8-20(17-19)30-16-6-15-29-30)23-18-21(12-13-25(23)32-24)31-26-11-3-4-14-28-26;;;;/h1-26H;2*1-21H;1-16H;;;;/q4*-2;4*+2
InChIKeyYJBFNZYKIISFQT-UHFFFAOYSA-N
MW2763.58 g/mol
LogP14.76
Rot. Bonds20

About 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine

2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine (PubChem CID 160889322) has the molecular formula C129H84B5N12O4PPt4S and a molecular weight of 2763.58 g/mol. Its IUPAC name is 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine.

Molecular Properties

Compound Name2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine
PubChem CID160889322
Molecular FormulaC129H84B5N12O4PPt4S
Molecular Weight2763.58 g/mol
Exact Mass2762.53
IUPAC Name2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine
SMILES[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3B(c3ccccc3)c3ccccc32)cccc1-n1cccn1.[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cccc1-n1cccn1.[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3P(c3ccccc3)c3ccccc32)cccc1-n1cccn1.[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3Sc3ccccc32)cccc1-n1cccn1
InChIInChI=1S/C39H26BN3O.C32H21B2N3O.C32H21BN3OP.C26H16BN3OS.4Pt/c1-3-13-29(14-4-1)39(30-15-5-2-6-16-30)34-19-7-8-20-36(34)40(31-17-11-18-32(27-31)43-26-12-25-42-43)37-28-33(22-23-35(37)39)44-38-21-9-10-24-41-38;1-2-10-24(11-3-1)33-28-14-4-5-15-29(28)34(25-12-8-13-26(22-25)37-21-9-20-36-37)31-23-27(17-18-30(31)33)38-32-16-6-7-19-35-32;1-2-12-27(13-3-1)38-30-15-5-4-14-28(30)33(24-10-8-11-25(22-24)36-21-9-20-35-36)29-23-26(17-18-31(29)38)37-32-16-6-7-19-34-32;1-2-10-24-22(9-1)27(19-7-5-8-20(17-19)30-16-6-15-29-30)23-18-21(12-13-25(23)32-24)31-26-11-3-4-14-28-26;;;;/h1-26H;2*1-21H;1-16H;;;;/q4*-2;4*+2
InChIKeyYJBFNZYKIISFQT-UHFFFAOYSA-N
XLogP14.76
TPSA159.76 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002763.58
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine with MolForge

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Related Compounds

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;N,N-dimethyl-4-[3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-5-id-1-amine;2-(phenoxy)pyridine;bis(5-phenyl-3-(4-phenylphenyl)pyrazol-1-ide);2-phenylsulfanylpyridine;platinum
CID 158204403
2-[3-[2-(3-methyl-2H-imidazol-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-10-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-10,10-diphenyl-4H-benzo[b][1]benzoborinin-4-id-5-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[2-(3-methyl-2H-imidazol-2-id-1-yl)-5-phenyl-1H-benzo[b][1,4]benzophosphaborinin-1-id-10-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-10-phenyl-4H-boranthren-4-id-5-yl]benzene-2-id-1-yl]oxypyridine;platinum
CID 160019756
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;2-(phenoxy)pyridine;1-phenyl-4-(4-phenylphenyl)triazole;2-phenyl-4-(4-phenylphenyl)triazole;2-phenylsulfanylpyridine;tris(rhodium(2+))
CID 160078701
2-[[5,5-diphenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzogermaborinin-1-id-2-yl]oxy]pyridine;2-[[5,5-diphenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzosilaborinin-1-id-2-yl]oxy]pyridine;5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-2-pyridin-2-yloxy-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;bis(platinum(2+));2-[[10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzoxaborinin-1-id-2-yl]oxy]pyridine
CID 160385466
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;N,N-dimethyl-4-[3-(4-phenylphenyl)pyrazol-1-id-5-yl]benzene-5-id-1-amine;2-(phenoxy)pyridine;2-(9-phenylfluoren-9-yl)pyridine;tris(5-phenyl-3-(4-phenylphenyl)pyrazol-1-ide);2-phenylsulfanylpyridine;platinum
CID 161487524

Frequently Asked Questions

What is the IUPAC name of 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine?
The IUPAC name of 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine (CID 160889322) is 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine.
What is the SMILES notation for 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine?
The canonical SMILES for 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine is [Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3B(c3ccccc3)c3ccccc32)cccc1-n1cccn1.[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cccc1-n1cccn1.[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3P(c3ccccc3)c3ccccc32)cccc1-n1cccn1.[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3Sc3ccccc32)cccc1-n1cccn1.
What is the InChIKey of 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine?
The InChIKey is YJBFNZYKIISFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26BN3O.C32H21B2N3O.C32H21BN3OP.C26H16BN3OS.4Pt/c1-3-13-29(14-4-1)39(30-15-5-2-6-16-30)34-19-7-8-20-36(34)40(31-17-11-18-32(27-31)43-26-12-25-42-43)37-28-33(22-23-35(37)39)44-38-21-9-10-24-41-38;1-2-10-24(11-3-1)33-28-14-4-5-15-29(28)34(25-12-8-13-26(22-25)37-21-9-20-36-37)31-23-27(17-18-30(31)33)38-32-16-6-7-19-35-32;1-2-12-27(13-3-1)38-30-15-5-4-14-28(30)33(24-10-8-11-25(22-24)36-21-9-20-35-36)29-23-26(17-18-31(29)38)37-32-16-6-7-19-34-32;1-2-10-24-22(9-1)27(19-7-5-8-20(17-19)30-16-6-15-29-30)23-18-21(12-13-25(23)32-24)31-26-11-3-4-14-28-26;;;;/h1-26H;2*1-21H;1-16H;;;;/q4*-2;4*+2.
What are the key properties of 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine?
2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine has a molecular weight of 2763.58 g/mol, XLogP of 14.76, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[10,10-diphenyl-5-(3-pyrazol-1-ylbenzene-2-id-1-yl)-4H-benzo[b][1]benzoborinin-4-id-3-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzophosphaborinin-1-id-2-yl]oxy]pyridine;2-[[5-phenyl-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;tetrakis(platinum(2+));2-[[10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-benzo[b][1,4]benzothiaborinin-1-id-2-yl]oxy]pyridine is sourced from PubChem (CID 160889322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).