2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C65H43N4OPt-3 — CID 171595734

About 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171595734) has the molecular formula C65H43N4OPt-3 and a molecular weight of 1096.19 g/mol. Its IUPAC name is 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171595734
• Molecular Formula: C65H43N4OPt-3
• Molecular Weight: 1096.19 g/mol
• Exact Mass: 1095.34
• IUPAC Name: 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7ccc8c(c7)C7c9ccccc9C8C8c9ccccc9C7c7ccccc78)c7ccccc76)ccc5)ccc4c4ccccc43)cc2C)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C65H43N4O.Pt/c1-40-34-61(66-38-56(40)41-16-3-2-4-17-41)69-57-27-12-11-20-46(57)47-33-31-45(37-60(47)69)70-44-19-15-18-42(35-44)67-39-68(59-29-14-13-28-58(59)67)43-30-32-54-55(36-43)65-53-26-10-9-25-52(53)64(54)62-48-21-5-7-23-50(48)63(65)51-24-8-6-22-49(51)62;/h2-34,36,38-39,62-65H,1H3;/q-3;/i2D,3D,4D,16D,17D
• InChIKey: LLMWTPUPNXJGCQ-QZDSEXHLSA-N
• XLogP: 15.82
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.19
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171595734) is 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4[c-]c(Oc5[c-]c(N6[CH-]N(c7ccc8c(c7)C7c9ccccc9C8C8c9ccccc9C7c7ccccc78)c7ccccc76)ccc5)ccc4c4ccccc43)cc2C)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is LLMWTPUPNXJGCQ-QZDSEXHLSA-N. The full InChI is InChI=1S/C65H43N4O.Pt/c1-40-34-61(66-38-56(40)41-16-3-2-4-17-41)69-57-27-12-11-20-46(57)47-33-31-45(37-60(47)69)70-44-19-15-18-42(35-44)67-39-68(59-29-14-13-28-58(59)67)43-30-32-54-55(36-43)65-53-26-10-9-25-52(53)64(54)62-48-21-5-7-23-50(48)63(65)51-24-8-6-22-49(51)62;/h2-34,36,38-39,62-65H,1H3;/q-3;/i2D,3D,4D,16D,17D;.

What are the key properties of 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1096.19 g/mol, XLogP of 15.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(5-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11,13,15,17,19,21,23,25,27-dodecaenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171595734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).