9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C60H48F2N4OPt-2 — CID 165383639

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 165383639) has the molecular formula C60H48F2N4OPt-2 and a molecular weight of 1074.14 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-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-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 165383639
• Molecular Formula: C60H48F2N4OPt-2
• Molecular Weight: 1074.14 g/mol
• Exact Mass: 1073.35
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-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[c-][n+](-c6c(-c7ccc8c(c7)CCCC8)cccc6-c6ccc7c(c6)C(F)(F)CCC7)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C60H48F2N4O.Pt/c1-59(2,3)44-30-32-63-57(35-44)66-53-21-7-6-18-50(53)51-29-28-47(37-56(51)66)67-46-17-10-16-45(36-46)64-38-65(55-23-9-8-22-54(55)64)58-48(42-26-24-39-13-4-5-14-41(39)33-42)19-11-20-49(58)43-27-25-40-15-12-31-60(61,62)52(40)34-43;/h6-11,16-30,32-35H,4-5,12-15,31H2,1-3H3;/q-2
• InChIKey: NCODOWKRSFMLPE-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.14
LogP ≤ 5	14.53
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-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-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 165383639) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-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-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-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-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-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[c-][n+](-c6c(-c7ccc8c(c7)CCCC8)cccc6-c6ccc7c(c6)C(F)(F)CCC7)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is NCODOWKRSFMLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48F2N4O.Pt/c1-59(2,3)44-30-32-63-57(35-44)66-53-21-7-6-18-50(53)51-29-28-47(37-56(51)66)67-46-17-10-16-45(36-46)64-38-65(55-23-9-8-22-54(55)64)58-48(42-26-24-39-13-4-5-14-41(39)33-42)19-11-20-49(58)43-27-25-40-15-12-31-60(61,62)52(40)34-43;/h6-11,16-30,32-35H,4-5,12-15,31H2,1-3H3;/q-2;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1074.14 g/mol, XLogP of 14.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(8,8-difluoro-6,7-dihydro-5H-naphthalen-2-yl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 165383639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).