2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum

C38H39N4OPt- — CID 162491808

About 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum

2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum (PubChem CID 162491808) has the molecular formula C38H39N4OPt- and a molecular weight of 762.84 g/mol. Its IUPAC name is 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum
• PubChem CID: 162491808
• Molecular Formula: C38H39N4OPt-
• Molecular Weight: 762.84 g/mol
• Exact Mass: 762.28
• IUPAC Name: 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum
• SMILES: Cc1cc(-c2[c-]c(-c3nc4ccccc4n3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)ccc2)nn1-c1ccccc1O.[Pt]
• InChI: InChI=1S/C38H39N4O.Pt/c1-23(2)29-21-30(24(3)4)37(31(22-29)25(5)6)41-34-16-9-8-15-32(34)39-38(41)28-14-12-13-27(20-28)33-19-26(7)42(40-33)35-17-10-11-18-36(35)43;/h8-19,21-25,43H,1-7H3;/q-1
• InChIKey: NPMTXDQYUWQMQG-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.84
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	1
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-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum?

The IUPAC name of 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum (CID 162491808) is 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum.

What is the SMILES notation for 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum?

The canonical SMILES for 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum is Cc1cc(-c2[c-]c(-c3nc4ccccc4n3-c3c(C(C)C)cc(C(C)C)cc3C(C)C)ccc2)nn1-c1ccccc1O.[Pt].

What is the InChIKey of 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum?

The InChIKey is NPMTXDQYUWQMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N4O.Pt/c1-23(2)29-21-30(24(3)4)37(31(22-29)25(5)6)41-34-16-9-8-15-32(34)39-38(41)28-14-12-13-27(20-28)33-19-26(7)42(40-33)35-17-10-11-18-36(35)43;/h8-19,21-25,43H,1-7H3;/q-1;.

What are the key properties of 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum?

2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum has a molecular weight of 762.84 g/mol, XLogP of 9.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-methyl-3-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]pyrazol-1-yl]phenol;platinum is sourced from PubChem (CID 162491808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).