9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)

C44H29N5OPt — CID 171769127

About 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)

9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+) (PubChem CID 171769127) has the molecular formula C44H29N5OPt and a molecular weight of 838.83 g/mol. Its IUPAC name is 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)
• PubChem CID: 171769127
• Molecular Formula: C44H29N5OPt
• Molecular Weight: 838.83 g/mol
• Exact Mass: 838.20
• IUPAC Name: 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)
• SMILES: Cc1cccc2c3cccc(C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-n7ncc8ccccc87)ccc6)ccc5c5ccccc54)c3)c12.[Pt+2]
• InChI: InChI=1S/C44H29N5O.Pt/c1-28-10-7-16-37-38-17-8-11-29(2)44(38)47(43(28)37)31-22-23-45-42(25-31)48-40-19-6-4-15-35(40)36-21-20-34(26-41(36)48)50-33-14-9-13-32(24-33)49-39-18-5-3-12-30(39)27-46-49;/h3-23,25,27H,1-2H3;/q-2;+2
• InChIKey: LFQACQXAMCKLEB-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.83
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)?

The IUPAC name of 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+) (CID 171769127) is 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+).

What is the SMILES notation for 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)?

The canonical SMILES for 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+) is Cc1cccc2c3cccc(C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-n7ncc8ccccc87)ccc6)ccc5c5ccccc54)c3)c12.[Pt+2].

What is the InChIKey of 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)?

The InChIKey is LFQACQXAMCKLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5O.Pt/c1-28-10-7-16-37-38-17-8-11-29(2)44(38)47(43(28)37)31-22-23-45-42(25-31)48-40-19-6-4-15-35(40)36-21-20-34(26-41(36)48)50-33-14-9-13-32(24-33)49-39-18-5-3-12-30(39)27-46-49;/h3-23,25,27H,1-2H3;/q-2;+2.

What are the key properties of 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)?

9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+) has a molecular weight of 838.83 g/mol, XLogP of 10.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+) is sourced from PubChem (CID 171769127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).