[1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

C172H119B4F3N14O2Pt4S-8 — CID 163528204

About [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 163528204) has the molecular formula C172H119B4F3N14O2Pt4S-8 and a molecular weight of 3326.56 g/mol. Its IUPAC name is [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
• PubChem CID: 163528204
• Molecular Formula: C172H119B4F3N14O2Pt4S-8
• Molecular Weight: 3326.56 g/mol
• Exact Mass: 3324.83
• IUPAC Name: [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
• SMILES: Cn1c(=[Pt])n(-c2[c-]c(B(c3[c-]c(Cc4ccccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(B(c3[c-]c(Oc4cc(C(F)(F)F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(B(c3[c-]c(Oc4ncncn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(B(c3[c-]c(Sc4ccccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21
• InChI: InChI=1S/C44H29BF3N3O.C44H32BN3.C43H30BN3S.C41H28BN5O.4Pt/c1-50-30-51(41-24-9-8-23-40(41)50)36-19-10-17-34(28-36)45(35-18-11-20-37(29-35)52-42-27-33(25-26-49-42)44(46,47)48)43-38(31-13-4-2-5-14-31)21-12-22-39(43)32-15-6-3-7-16-32;1-47-32-48(43-27-9-8-26-42(43)47)39-23-13-21-37(31-39)45(36-20-12-15-33(29-36)30-38-22-10-11-28-46-38)44-40(34-16-4-2-5-17-34)24-14-25-41(44)35-18-6-3-7-19-35;1-46-31-47(41-26-9-8-25-40(41)46)36-21-12-19-34(29-36)44(35-20-13-22-37(30-35)48-42-27-10-11-28-45-42)43-38(32-15-4-2-5-16-32)23-14-24-39(43)33-17-6-3-7-18-33;1-46-29-47(39-24-9-8-23-38(39)46)34-19-10-17-32(25-34)42(33-18-11-20-35(26-33)48-41-44-27-43-28-45-41)40-36(30-13-4-2-5-14-30)21-12-22-37(40)31-15-6-3-7-16-31;;;;/h2-27H,1H3;2-28H,30H2,1H3;2-28H,1H3;2-24,27-28H,1H3;;;;/q4*-2
• InChIKey: SEFMHVREGCCLDR-UHFFFAOYSA-N
• XLogP: 30.71
• TPSA: 135.24 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 32
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3326.56
LogP ≤ 5	30.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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 [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (CID 163528204) is [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is Cn1c(=[Pt])n(-c2[c-]c(B(c3[c-]c(Cc4ccccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(B(c3[c-]c(Oc4cc(C(F)(F)F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(B(c3[c-]c(Oc4ncncn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(B(c3[c-]c(Sc4ccccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.

What is the InChIKey of [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

The InChIKey is SEFMHVREGCCLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29BF3N3O.C44H32BN3.C43H30BN3S.C41H28BN5O.4Pt/c1-50-30-51(41-24-9-8-23-40(41)50)36-19-10-17-34(28-36)45(35-18-11-20-37(29-35)52-42-27-33(25-26-49-42)44(46,47)48)43-38(31-13-4-2-5-14-31)21-12-22-39(43)32-15-6-3-7-16-32;1-47-32-48(43-27-9-8-26-42(43)47)39-23-13-21-37(31-39)45(36-20-12-15-33(29-36)30-38-22-10-11-28-46-38)44-40(34-16-4-2-5-17-34)24-14-25-41(44)35-18-6-3-7-19-35;1-46-31-47(41-26-9-8-25-40(41)46)36-21-12-19-34(29-36)44(35-20-13-22-37(30-35)48-42-27-10-11-28-45-42)43-38(32-15-4-2-5-16-32)23-14-24-39(43)33-17-6-3-7-18-33;1-46-29-47(39-24-9-8-23-38(39)46)34-19-10-17-32(25-34)42(33-18-11-20-35(26-33)48-41-44-27-43-28-45-41)40-36(30-13-4-2-5-14-30)21-12-22-37(40)31-15-6-3-7-16-31;;;;/h2-27H,1H3;2-28H,30H2,1H3;2-28H,1H3;2-24,27-28H,1H3;;;;/q4*-2;;;;.

What are the key properties of [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?

[1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 3326.56 g/mol, XLogP of 30.71, 32 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[(2,6-diphenylphenyl)-[3-(pyridin-2-ylmethyl)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-(1,3,5-triazin-2-yloxy)benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-[(2,6-diphenylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]boranyl]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 163528204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).