9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C52H44N4O3Pt — CID 153412867

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412867) has the molecular formula C52H44N4O3Pt and a molecular weight of 968.03 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412867
• Molecular Formula: C52H44N4O3Pt
• Molecular Weight: 968.03 g/mol
• Exact Mass: 967.31
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)c(OCc2ccccc2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c2)c1OCc1ccccc1.[Pt+2]
• InChI: InChI=1S/C52H44N4O3.Pt/c1-35-27-36(2)51(58-34-38-17-10-7-11-18-38)49(50(35)57-33-37-15-8-6-9-16-37)39-31-54-55(32-39)41-19-14-20-42(29-41)59-43-23-24-45-44-21-12-13-22-46(44)56(47(45)30-43)48-28-40(25-26-53-48)52(3,4)5;/h6-28,31-32H,33-34H2,1-5H3;/q-2;+2
• InChIKey: FSUGPZCWIHXOPN-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.03
LogP ≤ 5	12.49
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153412867) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)c(OCc2ccccc2)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c2)c1OCc1ccccc1.[Pt+2].

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

The InChIKey is FSUGPZCWIHXOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N4O3.Pt/c1-35-27-36(2)51(58-34-38-17-10-7-11-18-38)49(50(35)57-33-37-15-8-6-9-16-37)39-31-54-55(32-39)41-19-14-20-42(29-41)59-43-23-24-45-44-21-12-13-22-46(44)56(47(45)30-43)48-28-40(25-26-53-48)52(3,4)5;/h6-28,31-32H,33-34H2,1-5H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 968.03 g/mol, XLogP of 12.49, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-[3,5-dimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153412867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).