15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum

C68H42N4OPt-2 — CID 171747087

About 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum

15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum (PubChem CID 171747087) has the molecular formula C68H42N4OPt-2 and a molecular weight of 1126.19 g/mol. Its IUPAC name is 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum.

Molecular Properties

• Compound Name: 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum
• PubChem CID: 171747087
• Molecular Formula: C68H42N4OPt-2
• Molecular Weight: 1126.19 g/mol
• Exact Mass: 1125.30
• IUPAC Name: 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3/C2=N/c3c(-c4ccccc4)cccc3-c3ccccc3-c3ccccc32)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21
• InChI: InChI=1S/C68H42N4O.Pt/c1-4-21-46(22-5-1)52-34-19-37-60-56-30-11-10-29-55(56)57-31-12-13-33-61(57)68(69-66(52)60)72-62-38-15-14-32-58(62)59-42-41-51(44-65(59)72)73-50-28-18-27-49(43-50)70-45-71(64-40-17-16-39-63(64)70)67-53(47-23-6-2-7-24-47)35-20-36-54(67)48-25-8-3-9-26-48;/h1-42H;/q-2;/b57-55-,60-56-,68-61+,69-66-,69-68+
• InChIKey: RPZICIXNYIRJIB-XPCAGOAHSA-N
• XLogP: 16.48
• TPSA: 35.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.19
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum?

The IUPAC name of 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum (CID 171747087) is 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum.

What is the SMILES notation for 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum?

The canonical SMILES for 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3/C2=N/c3c(-c4ccccc4)cccc3-c3ccccc3-c3ccccc32)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21.

What is the InChIKey of 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum?

The InChIKey is RPZICIXNYIRJIB-XPCAGOAHSA-N. The full InChI is InChI=1S/C68H42N4O.Pt/c1-4-21-46(22-5-1)52-34-19-37-60-56-30-11-10-29-55(56)57-31-12-13-33-61(57)68(69-66(52)60)72-62-38-15-14-32-58(62)59-42-41-51(44-65(59)72)73-50-28-18-27-49(43-50)70-45-71(64-40-17-16-39-63(64)70)67-53(47-23-6-2-7-24-47)35-20-36-54(67)48-25-8-3-9-26-48;/h1-42H;/q-2;/b57-55-,60-56-,68-61+,69-66-,69-68+;.

What are the key properties of 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum?

15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum has a molecular weight of 1126.19 g/mol, XLogP of 16.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-12-phenyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene;platinum is sourced from PubChem (CID 171747087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).