9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum

C62H45N4OPt-3 — CID 171595640

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum (PubChem CID 171595640) has the molecular formula C62H45N4OPt-3 and a molecular weight of 1057.15 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum
• PubChem CID: 171595640
• Molecular Formula: C62H45N4OPt-3
• Molecular Weight: 1057.15 g/mol
• Exact Mass: 1056.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cccc7c6C6c8ccccc8C7C7c8ccccc8C6c6ccccc67)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C62H45N4O.Pt/c1-62(2,3)38-32-33-63-56(34-38)66-51-26-11-10-18-42(51)43-31-30-41(36-55(43)66)67-40-17-14-16-39(35-40)64-37-65(53-28-13-12-27-52(53)64)54-29-15-25-50-59-48-23-8-9-24-49(48)61(60(50)54)58-46-21-6-4-19-44(46)57(59)45-20-5-7-22-47(45)58;/h4-34,37,57-59,61H,1-3H3;/q-3
• InChIKey: XAHYRRJDOJTSLY-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.15
LogP ≤ 5	15.14
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum (CID 171595640) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cccc7c6C6c8ccccc8C7C7c8ccccc8C6c6ccccc67)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum?

The InChIKey is XAHYRRJDOJTSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N4O.Pt/c1-62(2,3)38-32-33-63-56(34-38)66-51-26-11-10-18-42(51)43-31-30-41(36-55(43)66)67-40-17-14-16-39(35-40)64-37-65(53-28-13-12-27-52(53)64)54-29-15-25-50-59-48-23-8-9-24-49(48)61(60(50)54)58-46-21-6-4-19-44(46)57(59)45-20-5-7-22-47(45)58;/h4-34,37,57-59,61H,1-3H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum has a molecular weight of 1057.15 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(4-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-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171595640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).