2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane

C134H158N7O4Pt3S-3 — CID 157249715

About 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane

2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane (PubChem CID 157249715) has the molecular formula C134H158N7O4Pt3S-3 and a molecular weight of 2548.08 g/mol. Its IUPAC name is 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane.

Molecular Properties

• Compound Name: 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane
• PubChem CID: 157249715
• Molecular Formula: C134H158N7O4Pt3S-3
• Molecular Weight: 2548.08 g/mol
• Exact Mass: 2546.11
• IUPAC Name: 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane
• SMILES: CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc5ccccc5cn4)cc4ccccc34)cccc21.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5ccccc5cn4)cc4ccccc34)cccc2o1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5ccccc5cn4)cc4ccccc34)cccc2s1.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C34H24N3O.C32H19N2O2.C32H19N2OS.12C3H8.3Pt/c1-2-37-31-16-9-15-27(33(31)36-34(37)28-14-7-8-17-32(28)38)29-19-25(18-23-11-5-6-13-26(23)29)30-20-22-10-3-4-12-24(22)21-35-30;2*35-29-14-6-5-12-26(29)32-34-31-25(13-7-15-30(31)36-32)27-17-23(16-21-9-3-4-11-24(21)27)28-18-20-8-1-2-10-22(20)19-33-28;12*1-3-2;;;/h3-18,20-21,38H,2H2,1H3;2*1-16,18-19,35H;12*3H2,1-2H3;;;/q3*-1
• InChIKey: NHZDGHQDNCADFK-UHFFFAOYSA-N
• XLogP: 41.79
• TPSA: 156.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2548.08
LogP ≤ 5	41.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane?

The IUPAC name of 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane (CID 157249715) is 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane.

What is the SMILES notation for 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane?

The canonical SMILES for 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane is CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc5ccccc5cn4)cc4ccccc34)cccc21.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5ccccc5cn4)cc4ccccc34)cccc2o1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5ccccc5cn4)cc4ccccc34)cccc2s1.[Pt].[Pt].[Pt].

What is the InChIKey of 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane?

The InChIKey is NHZDGHQDNCADFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N3O.C32H19N2O2.C32H19N2OS.12C3H8.3Pt/c1-2-37-31-16-9-15-27(33(31)36-34(37)28-14-7-8-17-32(28)38)29-19-25(18-23-11-5-6-13-26(23)29)30-20-22-10-3-4-12-24(22)21-35-30;2*35-29-14-6-5-12-26(29)32-34-31-25(13-7-15-30(31)36-32)27-17-23(16-21-9-3-4-11-24(21)27)28-18-20-8-1-2-10-22(20)19-33-28;12*1-3-2;;;/h3-18,20-21,38H,2H2,1H3;2*1-16,18-19,35H;12*3H2,1-2H3;;;/q3*-1;;;;;;;;;;;;;;;.

What are the key properties of 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane?

2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane has a molecular weight of 2548.08 g/mol, XLogP of 41.79, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-ethyl-4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;propane is sourced from PubChem (CID 157249715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).