3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C50H34N4OPt-2 — CID 171610159

About 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 171610159) has the molecular formula C50H34N4OPt-2 and a molecular weight of 907.96 g/mol. Its IUPAC name is 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 171610159
• Molecular Formula: C50H34N4OPt-2
• Molecular Weight: 907.96 g/mol
• Exact Mass: 907.28
• IUPAC Name: 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)[c-]c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(CC)ccn1.[Pt]
• InChI: InChI=1S/C50H34N4O.Pt/c1-2-35-29-30-51-49(31-35)54-45-24-10-9-21-43(45)44-28-27-40(33-48(44)54)55-39-20-13-19-38(32-39)52-34-53(47-26-12-11-25-46(47)52)50-41(36-15-5-3-6-16-36)22-14-23-42(50)37-17-7-4-8-18-37;/h3-31H,2H2,1H3;/q-2;/i9D,10D,21D,24D,27D,28D
• InChIKey: OAGVZHAUFLGRBA-GYDIVHCHSA-N
• XLogP: 11.49
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.96
LogP ≤ 5	11.49
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 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 171610159) is 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]c1c(Oc2[c-]c(-n3[c-][n+](-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc43)ccc2)[c-]c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(CC)ccn1.[Pt].

What is the InChIKey of 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is OAGVZHAUFLGRBA-GYDIVHCHSA-N. The full InChI is InChI=1S/C50H34N4O.Pt/c1-2-35-29-30-51-49(31-35)54-45-24-10-9-21-43(45)44-28-27-40(33-48(44)54)55-39-20-13-19-38(32-39)52-34-53(47-26-12-11-25-46(47)52)50-41(36-15-5-3-6-16-36)22-14-23-42(50)37-17-7-4-8-18-37;/h3-31H,2H2,1H3;/q-2;/i9D,10D,21D,24D,27D,28D;.

What are the key properties of 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 907.96 g/mol, XLogP of 11.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5,6,7,8-hexadeuterio-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-ethyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).