2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+)

C32H20N5OPt+ — CID 168721386

About 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+)

2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+) (PubChem CID 168721386) has the molecular formula C32H20N5OPt+ and a molecular weight of 685.62 g/mol. Its IUPAC name is 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+)
• PubChem CID: 168721386
• Molecular Formula: C32H20N5OPt+
• Molecular Weight: 685.62 g/mol
• Exact Mass: 685.13
• IUPAC Name: 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+)
• SMILES: Oc1ccccc1-n1[c-][n+](-c2cccc(-n3c4ccccc4c4c5ccccc5[n-]c43)n2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C32H20N5O.Pt/c38-28-17-8-7-16-27(28)35-20-36(26-15-6-5-14-25(26)35)29-18-9-19-30(34-29)37-24-13-4-2-11-22(24)31-21-10-1-3-12-23(21)33-32(31)37;/h1-19,38H;/q-1;+2
• InChIKey: YDBIXFLDASQMKB-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 60.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.62
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
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 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+)?

The IUPAC name of 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+) (CID 168721386) is 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+).

What is the SMILES notation for 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+)?

The canonical SMILES for 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+) is Oc1ccccc1-n1[c-][n+](-c2cccc(-n3c4ccccc4c4c5ccccc5[n-]c43)n2)c2ccccc21.[Pt+2].

What is the InChIKey of 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+)?

The InChIKey is YDBIXFLDASQMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N5O.Pt/c38-28-17-8-7-16-27(28)35-20-36(26-15-6-5-14-25(26)35)29-18-9-19-30(34-29)37-24-13-4-2-11-22(24)31-21-10-1-3-12-23(21)33-32(31)37;/h1-19,38H;/q-1;+2.

What are the key properties of 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+)?

2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+) has a molecular weight of 685.62 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(6-indolo[2,3-b]indol-6-id-5-yl-2-pyridinyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenol;platinum(2+) is sourced from PubChem (CID 168721386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).