7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum

C58H48N6OPt-2 — CID 177294831

About 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum

7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum (PubChem CID 177294831) has the molecular formula C58H48N6OPt-2 and a molecular weight of 1040.14 g/mol. Its IUPAC name is 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum.

Molecular Properties

• Compound Name: 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum
• PubChem CID: 177294831
• Molecular Formula: C58H48N6OPt-2
• Molecular Weight: 1040.14 g/mol
• Exact Mass: 1039.35
• IUPAC Name: 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum
• SMILES: CC(C)(C)c1cccc(C(C)(C)C)c1-[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3nccc4c3nc3n4-c4cccc5cccc(c45)C3(C)C)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C58H48N6O.Pt/c1-56(2,3)43-23-16-24-44(57(4,5)6)53(43)62-35-61(46-26-11-12-27-47(46)62)37-19-15-20-38(33-37)65-39-29-30-41-40-21-9-10-25-45(40)63(50(41)34-39)54-52-49(31-32-59-54)64-48-28-14-18-36-17-13-22-42(51(36)48)58(7,8)55(64)60-52;/h9-32H,1-8H3;/q-2
• InChIKey: SEZFGTXPDKJSPF-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 53.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1040.14
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum?

The IUPAC name of 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum (CID 177294831) is 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum.

What is the SMILES notation for 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum?

The canonical SMILES for 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum is CC(C)(C)c1cccc(C(C)(C)C)c1-[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3nccc4c3nc3n4-c4cccc5cccc(c45)C3(C)C)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum?

The InChIKey is SEZFGTXPDKJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N6O.Pt/c1-56(2,3)43-23-16-24-44(57(4,5)6)53(43)62-35-61(46-26-11-12-27-47(46)62)37-19-15-20-38(33-37)65-39-29-30-41-40-21-9-10-25-45(40)63(50(41)34-39)54-52-49(31-32-59-54)64-48-28-14-18-36-17-13-22-42(51(36)48)58(7,8)55(64)60-52;/h9-32H,1-8H3;/q-2;.

What are the key properties of 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum?

7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum has a molecular weight of 1040.14 g/mol, XLogP of 13.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[3-[3-(2,6-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-11,11-dimethyl-2,6,9-triazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),3(8),4,6,9,12,14,16(20),17-nonaene;platinum is sourced from PubChem (CID 177294831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).