bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+))

C130H96B3F5N6Pt3 — CID 163902359

IUPACbis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+))
SMILESCC(C)(C)c1ccnc(-c2[c-]c(B(c3[c-]c(-c4cc(C(C)(C)C)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.Cc1ccnc(-c2[c-]c(B(c3[c-]c(-c4cc(C(F)(F)F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.Fc1ccnc(-c2[c-]c(B(c3[c-]c(-c4cc(F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C48H43BN2.C42H28BF3N2.C40H25BF2N2.3Pt/c1-47(2,3)38-26-28-50-44(32-38)36-20-13-22-40(30-36)49(41-23-14-21-37(31-41)45-33-39(27-29-51-45)48(4,5)6)46-42(34-16-9-7-10-17-34)24-15-25-43(46)35-18-11-8-12-19-35;1-29-21-23-47-39(25-29)32-15-8-17-35(26-32)43(36-18-9-16-33(27-36)40-28-34(22-24-48-40)42(44,45)46)41-37(30-11-4-2-5-12-30)19-10-20-38(41)31-13-6-3-7-14-31;42-34-20-22-44-38(26-34)30-14-7-16-32(24-30)41(33-17-8-15-31(25-33)39-27-35(43)21-23-45-39)40-36(28-10-3-1-4-11-28)18-9-19-37(40)29-12-5-2-6-13-29;;;/h7-29,32-33H,1-6H3;2-25,28H,1H3;1-23,26-27H;;;/q3*-2;3*+2
InChIKeyVPQFBOVKODMWJW-UHFFFAOYSA-N
MW2454.90 g/mol
LogP25.98
Rot. Bonds21

About bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+))

bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+)) (PubChem CID 163902359) has the molecular formula C130H96B3F5N6Pt3 and a molecular weight of 2454.90 g/mol. Its IUPAC name is bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+)).

Molecular Properties

Compound Namebis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+))
PubChem CID163902359
Molecular FormulaC130H96B3F5N6Pt3
Molecular Weight2454.90 g/mol
Exact Mass2453.68
IUPAC Namebis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+))
SMILESCC(C)(C)c1ccnc(-c2[c-]c(B(c3[c-]c(-c4cc(C(C)(C)C)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.Cc1ccnc(-c2[c-]c(B(c3[c-]c(-c4cc(C(F)(F)F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.Fc1ccnc(-c2[c-]c(B(c3[c-]c(-c4cc(F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C48H43BN2.C42H28BF3N2.C40H25BF2N2.3Pt/c1-47(2,3)38-26-28-50-44(32-38)36-20-13-22-40(30-36)49(41-23-14-21-37(31-41)45-33-39(27-29-51-45)48(4,5)6)46-42(34-16-9-7-10-17-34)24-15-25-43(46)35-18-11-8-12-19-35;1-29-21-23-47-39(25-29)32-15-8-17-35(26-32)43(36-18-9-16-33(27-36)40-28-34(22-24-48-40)42(44,45)46)41-37(30-11-4-2-5-12-30)19-10-20-38(41)31-13-6-3-7-14-31;42-34-20-22-44-38(26-34)30-14-7-16-32(24-30)41(33-17-8-15-31(25-33)39-27-35(43)21-23-45-39)40-36(28-10-3-1-4-11-28)18-9-19-37(40)29-12-5-2-6-13-29;;;/h7-29,32-33H,1-6H3;2-25,28H,1H3;1-23,26-27H;;;/q3*-2;3*+2
InChIKeyVPQFBOVKODMWJW-UHFFFAOYSA-N
XLogP25.98
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002454.90
LogP ≤ 525.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+)) with MolForge

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Tetrakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);hexane;methanolate;bis(rhodium(3+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139141108
Gross107 (Sudhakar)
CID 139174614
bis(1-[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]-N,N-bis[[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]methyl]methanamine);hexane;decakis(pyridine);bis(uranium(4+))
CID 168337712
2-[3,5-Bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine
CID 91435354
9-[2,6-Bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]pyridin-3-yl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]pyridin-3-yl]phenyl]pyridin-4-yl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole
CID 139313534
Iridium(3+);2-[4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[2-[4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine
CID 153319855
Iridium(3+);2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine
CID 153319875
9-[2-[2-[3-[2-[2-Carbazol-9-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-4-id-1-yl]carbazole;iridium(3+)
CID 153319951
Iridium(3+);3-phenyl-9-[2-[2-[3-[2-[2-(3-phenylcarbazol-9-yl)-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-4-id-1-yl]carbazole
CID 153319955

Frequently Asked Questions

What is the IUPAC name of bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+))?
The IUPAC name of bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+)) (CID 163902359) is bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+)).
What is the SMILES notation for bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+))?
The canonical SMILES for bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+)) is CC(C)(C)c1ccnc(-c2[c-]c(B(c3[c-]c(-c4cc(C(C)(C)C)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.Cc1ccnc(-c2[c-]c(B(c3[c-]c(-c4cc(C(F)(F)F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.Fc1ccnc(-c2[c-]c(B(c3[c-]c(-c4cc(F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+))?
The InChIKey is VPQFBOVKODMWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43BN2.C42H28BF3N2.C40H25BF2N2.3Pt/c1-47(2,3)38-26-28-50-44(32-38)36-20-13-22-40(30-36)49(41-23-14-21-37(31-41)45-33-39(27-29-51-45)48(4,5)6)46-42(34-16-9-7-10-17-34)24-15-25-43(46)35-18-11-8-12-19-35;1-29-21-23-47-39(25-29)32-15-8-17-35(26-32)43(36-18-9-16-33(27-36)40-28-34(22-24-48-40)42(44,45)46)41-37(30-11-4-2-5-12-30)19-10-20-38(41)31-13-6-3-7-14-31;42-34-20-22-44-38(26-34)30-14-7-16-32(24-30)41(33-17-8-15-31(25-33)39-27-35(43)21-23-45-39)40-36(28-10-3-1-4-11-28)18-9-19-37(40)29-12-5-2-6-13-29;;;/h7-29,32-33H,1-6H3;2-25,28H,1H3;1-23,26-27H;;;/q3*-2;3*+2.
What are the key properties of bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+))?
bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+)) has a molecular weight of 2454.90 g/mol, XLogP of 25.98, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-(2,6-diphenylphenyl)borane;(2,6-diphenylphenyl)-bis[3-(4-fluoro-2-pyridinyl)benzene-2-id-1-yl]borane;(2,6-diphenylphenyl)-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-[3-[4-(trifluoromethyl)-2-pyridinyl]benzene-2-id-1-yl]borane;tris(platinum(2+)) is sourced from PubChem (CID 163902359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).