2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C45H38N4O4PtS — CID 153412933

About 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412933) has the molecular formula C45H38N4O4PtS and a molecular weight of 925.97 g/mol. Its IUPAC name is 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412933
• Molecular Formula: C45H38N4O4PtS
• Molecular Weight: 925.97 g/mol
• Exact Mass: 925.23
• IUPAC Name: 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cc(S(=O)(=O)c7ccccc7)cc6C)cn5)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C45H38N4O4S.Pt/c1-29-20-38(54(50,51)37-12-8-7-9-13-37)21-30(2)44(29)31-27-47-48(28-31)33-22-32(45(3,4)5)23-36(24-33)53-35-16-17-40-39-14-10-11-15-41(39)49(42(40)25-35)43-26-34(52-6)18-19-46-43;/h7-23,26-28H,1-6H3;/q-2;+2
• InChIKey: ADUITZDZXLJNFV-UHFFFAOYSA-N
• XLogP: 10.18
• TPSA: 88.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.97
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412933) is 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is COc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cc(S(=O)(=O)c7ccccc7)cc6C)cn5)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ADUITZDZXLJNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N4O4S.Pt/c1-29-20-38(54(50,51)37-12-8-7-9-13-37)21-30(2)44(29)31-27-47-48(28-31)33-22-32(45(3,4)5)23-36(24-33)53-35-16-17-40-39-14-10-11-15-41(39)49(42(40)25-35)43-26-34(52-6)18-19-46-43;/h7-23,26-28H,1-6H3;/q-2;+2.

What are the key properties of 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 925.97 g/mol, XLogP of 10.18, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).