2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C37H30N4OPtS2 — CID 153413237

About 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153413237) has the molecular formula C37H30N4OPtS2 and a molecular weight of 805.89 g/mol. Its IUPAC name is 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153413237
• Molecular Formula: C37H30N4OPtS2
• Molecular Weight: 805.89 g/mol
• Exact Mass: 805.15
• IUPAC Name: 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CSc1cccc(SC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C37H30N4OS2.Pt/c1-24(2)25-17-18-38-36(19-25)41-32-12-6-5-11-30(32)31-16-15-29(21-33(31)41)42-28-10-7-9-27(20-28)40-23-26(22-39-40)37-34(43-3)13-8-14-35(37)44-4;/h5-19,22-24H,1-4H3;/q-2;+2
• InChIKey: FPWVBCHMZATMBU-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 44.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.89
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153413237) is 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CSc1cccc(SC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c1.[Pt+2].

What is the InChIKey of 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is FPWVBCHMZATMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N4OS2.Pt/c1-24(2)25-17-18-38-36(19-25)41-32-12-6-5-11-30(32)31-16-15-29(21-33(31)41)42-28-10-7-9-27(20-28)40-23-26(22-39-40)37-34(43-3)13-8-14-35(37)44-4;/h5-19,22-24H,1-4H3;/q-2;+2.

What are the key properties of 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 805.89 g/mol, XLogP of 9.99, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153413237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).