5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+)

C45H36N4O2Pt — CID 176782774

About 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+)

5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+) (PubChem CID 176782774) has the molecular formula C45H36N4O2Pt and a molecular weight of 859.89 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+)
• PubChem CID: 176782774
• Molecular Formula: C45H36N4O2Pt
• Molecular Weight: 859.89 g/mol
• Exact Mass: 859.25
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+)
• SMILES: Cc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c5c(c6ccccc6n5-c5cc(C(C)(C)C)ccn5)c5oc6ccccc6c45)ccc3)n2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C45H36N4O2.Pt/c1-27-22-28(2)41(29(3)23-27)35-19-21-48(47-35)31-12-11-13-32(25-31)50-39-26-37-42(44-43(39)34-15-8-10-17-38(34)51-44)33-14-7-9-16-36(33)49(37)40-24-30(18-20-46-40)45(4,5)6;/h7-24H,1-6H3;/q-2;+2
• InChIKey: ASBWYFHFJSTBOM-UHFFFAOYSA-N
• XLogP: 11.54
• TPSA: 58.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.89
LogP ≤ 5	11.54
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 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+)?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+) (CID 176782774) is 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+).

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+)?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+) is Cc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c5c(c6ccccc6n5-c5cc(C(C)(C)C)ccn5)c5oc6ccccc6c45)ccc3)n2)c(C)c1.[Pt+2].

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+)?

The InChIKey is ASBWYFHFJSTBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4O2.Pt/c1-27-22-28(2)41(29(3)23-27)35-19-21-48(47-35)31-12-11-13-32(25-31)50-39-26-37-42(44-43(39)34-15-8-10-17-38(34)51-44)33-14-7-9-16-36(33)49(37)40-24-30(18-20-46-40)45(4,5)6;/h7-24H,1-6H3;/q-2;+2.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+)?

5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+) has a molecular weight of 859.89 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+) is sourced from PubChem (CID 176782774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).