9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C45H46N4OPt — CID 153441851

About 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441851) has the molecular formula C45H46N4OPt and a molecular weight of 853.97 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441851
• Molecular Formula: C45H46N4OPt
• Molecular Weight: 853.97 g/mol
• Exact Mass: 853.33
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c3c(cc2)c2cc(CCC(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2nc(C)c(-c3ccccc3)c2C)c1.[Pt+2]
• InChI: InChI=1S/C45H46N4O.Pt/c1-29-23-35(49-31(3)43(30(2)47-49)33-13-11-10-12-14-33)27-37(24-29)50-36-16-17-38-39-25-32(19-21-44(4,5)6)15-18-40(39)48(41(38)28-36)42-26-34(20-22-46-42)45(7,8)9;/h10-18,20,22-26H,19,21H2,1-9H3;/q-2;+2
• InChIKey: ACLXBXKZSJDUGT-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.97
LogP ≤ 5	11.62
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 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153441851) is 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1cc(Oc2[c-]c3c(cc2)c2cc(CCC(C)(C)C)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2nc(C)c(-c3ccccc3)c2C)c1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ACLXBXKZSJDUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N4O.Pt/c1-29-23-35(49-31(3)43(30(2)47-49)33-13-11-10-12-14-33)27-37(24-29)50-36-16-17-38-39-25-32(19-21-44(4,5)6)15-18-40(39)48(41(38)28-36)42-26-34(20-22-46-42)45(7,8)9;/h10-18,20,22-26H,19,21H2,1-9H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 853.97 g/mol, XLogP of 11.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-6-(3,3-dimethylbutyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).