[1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

C178H129F3N16O3Pt4S-8 — CID 163863054

About [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

[1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 163863054) has the molecular formula C178H129F3N16O3Pt4S-8 and a molecular weight of 3409.47 g/mol. Its IUPAC name is [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
• PubChem CID: 163863054
• Molecular Formula: C178H129F3N16O3Pt4S-8
• Molecular Weight: 3409.47 g/mol
• Exact Mass: 3406.87
• IUPAC Name: [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
• SMILES: Cc1ccnc(Oc2[c-]c(N(c3[c-]c(-n4c(=[Pt])n(C)c5ccccc54)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.Cn1c(=[Pt])n(-c2[c-]c(N(c3[c-]c(Oc4cc(C(C)(C)C)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(N(c3[c-]c(Oc4cc(C(F)(F)F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(N(c3[c-]c(Sc4ccccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21
• InChI: InChI=1S/C47H38N4O.C44H29F3N4O.C44H32N4O.C43H30N4S.4Pt/c1-47(2,3)36-28-29-48-45(30-36)52-40-23-14-22-39(32-40)51(38-21-13-20-37(31-38)50-33-49(4)43-26-11-12-27-44(43)50)46-41(34-16-7-5-8-17-34)24-15-25-42(46)35-18-9-6-10-19-35;1-49-30-50(41-24-9-8-23-40(41)49)34-17-10-18-35(28-34)51(36-19-11-20-37(29-36)52-42-27-33(25-26-48-42)44(45,46)47)43-38(31-13-4-2-5-14-31)21-12-22-39(43)32-15-6-3-7-16-32;1-32-26-27-45-43(28-32)49-38-21-12-20-37(30-38)48(36-19-11-18-35(29-36)47-31-46(2)41-24-9-10-25-42(41)47)44-39(33-14-5-3-6-15-33)22-13-23-40(44)34-16-7-4-8-17-34;1-45-31-46(41-26-9-8-25-40(41)45)34-19-12-20-35(29-34)47(36-21-13-22-37(30-36)48-42-27-10-11-28-44-42)43-38(32-15-4-2-5-16-32)23-14-24-39(43)33-17-6-3-7-18-33;;;;/h5-30H,1-4H3;2-27H,1H3;3-28H,1-2H3;2-28H,1H3;;;;/q4*-2
• InChIKey: TXXMUJASTYGSCV-UHFFFAOYSA-N
• XLogP: 45.54
• TPSA: 131.65 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3409.47
LogP ≤ 5	45.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (CID 163863054) is [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is Cc1ccnc(Oc2[c-]c(N(c3[c-]c(-n4c(=[Pt])n(C)c5ccccc54)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c1.Cn1c(=[Pt])n(-c2[c-]c(N(c3[c-]c(Oc4cc(C(C)(C)C)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(N(c3[c-]c(Oc4cc(C(F)(F)F)ccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.Cn1c(=[Pt])n(-c2[c-]c(N(c3[c-]c(Sc4ccccn4)ccc3)c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)c2ccccc21.

What is the InChIKey of [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The InChIKey is TXXMUJASTYGSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N4O.C44H29F3N4O.C44H32N4O.C43H30N4S.4Pt/c1-47(2,3)36-28-29-48-45(30-36)52-40-23-14-22-39(32-40)51(38-21-13-20-37(31-38)50-33-49(4)43-26-11-12-27-44(43)50)46-41(34-16-7-5-8-17-34)24-15-25-42(46)35-18-9-6-10-19-35;1-49-30-50(41-24-9-8-23-40(41)49)34-17-10-18-35(28-34)51(36-19-11-20-37(29-36)52-42-27-33(25-26-48-42)44(45,46)47)43-38(31-13-4-2-5-14-31)21-12-22-39(43)32-15-6-3-7-16-32;1-32-26-27-45-43(28-32)49-38-21-12-20-37(30-38)48(36-19-11-18-35(29-36)47-31-46(2)41-24-9-10-25-42(41)47)44-39(33-14-5-3-6-15-33)22-13-23-40(44)34-16-7-4-8-17-34;1-45-31-46(41-26-9-8-25-40(41)45)34-19-12-20-35(29-34)47(36-21-13-22-37(30-36)48-42-27-10-11-28-44-42)43-38(32-15-4-2-5-16-32)23-14-24-39(43)33-17-6-3-7-18-33;;;;/h5-30H,1-4H3;2-27H,1H3;3-28H,1-2H3;2-28H,1H3;;;;/q4*-2;;;;.

What are the key properties of [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

[1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 3409.47 g/mol, XLogP of 45.54, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-(N-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-[3-(2,6-diphenyl-N-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum;[1-methyl-3-[3-(N-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-2,6-diphenylanilino)benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 163863054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).