2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+)

C67H56B4N2OPt — CID 153276289

IUPAC2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+)
SMILESCc1cccc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)c4c(c3)B(c3c(C)cccc3C)c3ccccc3B4c3c(C)cccc3C)cc3c2B(c2c(C)cccc2C)c2ccccc2B3c2c(C)cccc2C)n1.[Pt+2]
InChIInChI=1S/C67H56B4N2O.Pt/c1-41-21-16-22-42(2)62(41)68-54-30-10-12-32-56(54)70(64-45(5)25-18-26-46(64)6)66-52(60-34-14-15-36-72-60)37-50(39-58(66)68)74-51-38-53(61-35-20-29-49(9)73-61)67-59(40-51)69(63-43(3)23-17-24-44(63)4)55-31-11-13-33-57(55)71(67)65-47(7)27-19-28-48(65)8;/h10-36,39-40H,1-9H3;/q-2;+2
InChIKeyXMDVRMCCECEWCW-UHFFFAOYSA-N
MW1143.52 g/mol
LogP6.67
Rot. Bonds8

About 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+)

2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+) (PubChem CID 153276289) has the molecular formula C67H56B4N2OPt and a molecular weight of 1143.52 g/mol. Its IUPAC name is 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+).

Molecular Properties

Compound Name2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+)
PubChem CID153276289
Molecular FormulaC67H56B4N2OPt
Molecular Weight1143.52 g/mol
Exact Mass1143.44
IUPAC Name2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+)
SMILESCc1cccc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)c4c(c3)B(c3c(C)cccc3C)c3ccccc3B4c3c(C)cccc3C)cc3c2B(c2c(C)cccc2C)c2ccccc2B3c2c(C)cccc2C)n1.[Pt+2]
InChIInChI=1S/C67H56B4N2O.Pt/c1-41-21-16-22-42(2)62(41)68-54-30-10-12-32-56(54)70(64-45(5)25-18-26-46(64)6)66-52(60-34-14-15-36-72-60)37-50(39-58(66)68)74-51-38-53(61-35-20-29-49(9)73-61)67-59(40-51)69(63-43(3)23-17-24-44(63)4)55-31-11-13-33-57(55)71(67)65-47(7)27-19-28-48(65)8;/h10-36,39-40H,1-9H3;/q-2;+2
InChIKeyXMDVRMCCECEWCW-UHFFFAOYSA-N
XLogP6.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.52
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+) with MolForge

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Related Compounds

2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)
CID 153276208
2-[5,10-bis(2,6-dimethylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-[5,10-bis[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;2-methyl-6-[4-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-5,10-bis(2,4,6-trimethylphenyl)-3H-boranthren-3-id-2-yl]pyridine;tetrakis(platinum(2+))
CID 158218434
2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)
CID 153276212
1-[5,10-bis(2,6-dimethylphenyl)-3-(5-methyl-2-pyridinyl)boranthren-1-yl]oxy-8-pyridin-2-yl-9H-carbazole
CID 153276396
4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451623
1-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-8-pyridin-2-ylcarbazol-9-ide;platinum
CID 153276226
ethane;3-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridazine
CID 143616936
2-[2-tert-butyl-5-(4-tert-butyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]pyridine;palladium(2+)
CID 162455137
4-ethylsulfanyl-2-(6-methyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827506
2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 153276298
3-methyl-7-pyridin-2-yl-2,8-phenanthroline
CID 168852602
2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451616

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+)?
The IUPAC name of 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+) (CID 153276289) is 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+).
What is the SMILES notation for 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+)?
The canonical SMILES for 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+) is Cc1cccc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)c4c(c3)B(c3c(C)cccc3C)c3ccccc3B4c3c(C)cccc3C)cc3c2B(c2c(C)cccc2C)c2ccccc2B3c2c(C)cccc2C)n1.[Pt+2].
What is the InChIKey of 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+)?
The InChIKey is XMDVRMCCECEWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56B4N2O.Pt/c1-41-21-16-22-42(2)62(41)68-54-30-10-12-32-56(54)70(64-45(5)25-18-26-46(64)6)66-52(60-34-14-15-36-72-60)37-50(39-58(66)68)74-51-38-53(61-35-20-29-49(9)73-61)67-59(40-51)69(63-43(3)23-17-24-44(63)4)55-31-11-13-33-57(55)71(67)65-47(7)27-19-28-48(65)8;/h10-36,39-40H,1-9H3;/q-2;+2.
What are the key properties of 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+)?
2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+) has a molecular weight of 1143.52 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5,10-bis(2,6-dimethylphenyl)-4-pyridin-2-yl-3H-boranthren-3-id-2-yl]oxy]-5,10-bis(2,6-dimethylphenyl)-2H-boranthren-2-id-1-yl]-6-methylpyridine;platinum(2+) is sourced from PubChem (CID 153276289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).