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

C39H34N4O4Pt — CID 153414869

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

2-[3-[4-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153414869) has the molecular formula C39H34N4O4Pt and a molecular weight of 817.80 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153414869
• Molecular Formula: C39H34N4O4Pt
• Molecular Weight: 817.80 g/mol
• Exact Mass: 817.22
• IUPAC Name: 2-[3-[4-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCOc1c(C)cc(C)c(OCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(OC)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C39H34N4O4.Pt/c1-6-45-38-25(3)19-26(4)39(46-7-2)37(38)27-23-41-42(24-27)28-11-10-12-30(20-28)47-31-15-16-33-32-13-8-9-14-34(32)43(35(33)21-31)36-22-29(44-5)17-18-40-36;/h8-19,22-24H,6-7H2,1-5H3;/q-2;+2
• InChIKey: IZOYOEVNTKVQJG-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 72.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.80
LogP ≤ 5	8.84
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-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153414869) is 2-[3-[4-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-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-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCOc1c(C)cc(C)c(OCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(OC)ccn3)ccc2)c1.[Pt+2].

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

The InChIKey is IZOYOEVNTKVQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O4.Pt/c1-6-45-38-25(3)19-26(4)39(46-7-2)37(38)27-23-41-42(24-27)28-11-10-12-30(20-28)47-31-15-16-33-32-13-8-9-14-34(32)43(35(33)21-31)36-22-29(44-5)17-18-40-36;/h8-19,22-24H,6-7H2,1-5H3;/q-2;+2.

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

2-[3-[4-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 817.80 g/mol, XLogP of 8.84, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153414869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).