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

C42H28N4OPt — CID 171769510

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

1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) (PubChem CID 171769510) has the molecular formula C42H28N4OPt and a molecular weight of 799.79 g/mol. Its IUPAC name is 1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+).

Molecular Properties

• Compound Name: 1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
• PubChem CID: 171769510
• Molecular Formula: C42H28N4OPt
• Molecular Weight: 799.79 g/mol
• Exact Mass: 799.19
• IUPAC Name: 1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
• SMILES: Cc1cccc2c3cccc(C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-c7ccccn7)ccc6)ccc5c5ccccc54)c3)c12.[Pt+2]
• InChI: InChI=1S/C42H28N4O.Pt/c1-27-10-7-15-35-36-16-8-11-28(2)42(36)45(41(27)35)30-21-23-44-40(25-30)46-38-18-4-3-14-33(38)34-20-19-32(26-39(34)46)47-31-13-9-12-29(24-31)37-17-5-6-22-43-37;/h3-23,25H,1-2H3;/q-2;+2
• InChIKey: FPZIEZYYXYWBCV-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.79
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	0
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 1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)?

The IUPAC name of 1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) (CID 171769510) is 1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+).

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

The canonical SMILES for 1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) is Cc1cccc2c3cccc(C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-c7ccccn7)ccc6)ccc5c5ccccc54)c3)c12.[Pt+2].

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

The InChIKey is FPZIEZYYXYWBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O.Pt/c1-27-10-7-15-35-36-16-8-11-28(2)42(36)45(41(27)35)30-21-23-44-40(25-30)46-38-18-4-3-14-33(38)34-20-19-32(26-39(34)46)47-31-13-9-12-29(24-31)37-17-5-6-22-43-37;/h3-23,25H,1-2H3;/q-2;+2.

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

1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) has a molecular weight of 799.79 g/mol, XLogP of 10.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+) is sourced from PubChem (CID 171769510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).