2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum

C68H55F2N4Pt-3 — CID 162704504

About 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162704504) has the molecular formula C68H55F2N4Pt-3 and a molecular weight of 1161.29 g/mol. Its IUPAC name is 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162704504
• Molecular Formula: C68H55F2N4Pt-3
• Molecular Weight: 1161.29 g/mol
• Exact Mass: 1160.41
• IUPAC Name: 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(C2(c3ccnc(-n4c5[c-]c(C(F)(F)c6[c-]c(N7[CH-]N(c8c(-c9ccccc9)cccc8-c8ccccc8)c8ccccc87)ccc6)ccc5c5ccccc54)c3)C3CC4CC(C3)CC2C4)cc(C)c1C.[Pt]
• InChI: InChI=1S/C68H55F2N4.Pt/c1-43-32-53(33-44(2)45(43)3)67(54-35-46-34-47(37-54)38-55(67)36-46)50-30-31-71-65(41-50)74-61-25-11-10-22-59(61)60-29-28-52(40-64(60)74)68(69,70)51-20-14-21-56(39-51)72-42-73(63-27-13-12-26-62(63)72)66-57(48-16-6-4-7-17-48)23-15-24-58(66)49-18-8-5-9-19-49;/h4-33,41-42,46-47,54-55H,34-38H2,1-3H3;/q-3
• InChIKey: XEBIMKQVLIHADH-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1161.29
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162704504) is 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is Cc1cc(C2(c3ccnc(-n4c5[c-]c(C(F)(F)c6[c-]c(N7[CH-]N(c8c(-c9ccccc9)cccc8-c8ccccc8)c8ccccc87)ccc6)ccc5c5ccccc54)c3)C3CC4CC(C3)CC2C4)cc(C)c1C.[Pt].

What is the InChIKey of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is XEBIMKQVLIHADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H55F2N4.Pt/c1-43-32-53(33-44(2)45(43)3)67(54-35-46-34-47(37-54)38-55(67)36-46)50-30-31-71-65(41-50)74-61-25-11-10-22-59(61)60-29-28-52(40-64(60)74)68(69,70)51-20-14-21-56(39-51)72-42-73(63-27-13-12-26-62(63)72)66-57(48-16-6-4-7-17-48)23-15-24-58(66)49-18-8-5-9-19-49;/h4-33,41-42,46-47,54-55H,34-38H2,1-3H3;/q-3;.

What are the key properties of 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1161.29 g/mol, XLogP of 17.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-difluoromethyl]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162704504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).