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

C38H32N4OPtS2 — CID 153412815

About 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412815) has the molecular formula C38H32N4OPtS2 and a molecular weight of 819.91 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-tert-butyl-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412815
• Molecular Formula: C38H32N4OPtS2
• Molecular Weight: 819.91 g/mol
• Exact Mass: 819.17
• IUPAC Name: 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-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)C)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C38H32N4OS2.Pt/c1-38(2,3)26-18-19-39-36(20-26)42-32-13-7-6-12-30(32)31-17-16-29(22-33(31)42)43-28-11-8-10-27(21-28)41-24-25(23-40-41)37-34(44-4)14-9-15-35(37)45-5;/h6-20,23-24H,1-5H3;/q-2;+2
• InChIKey: OUEGWPBPZYYAAP-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 44.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.91
LogP ≤ 5	10.16
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-tert-butyl-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412815) is 2-[3-[4-[2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-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-tert-butyl-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-tert-butyl-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)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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is OUEGWPBPZYYAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4OS2.Pt/c1-38(2,3)26-18-19-39-36(20-26)42-32-13-7-6-12-30(32)31-17-16-29(22-33(31)42)43-28-11-8-10-27(21-28)41-24-25(23-40-41)37-34(44-4)14-9-15-35(37)45-5;/h6-20,23-24H,1-5H3;/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-tert-butyl-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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 819.91 g/mol, XLogP of 10.16, 7 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-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).