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

C39H34N4O3Pt — CID 153412807

About 2-[3-[4-(2,6-diethoxyphenyl)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-diethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412807) has the molecular formula C39H34N4O3Pt and a molecular weight of 801.80 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diethoxyphenyl)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-diethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412807
• Molecular Formula: C39H34N4O3Pt
• Molecular Weight: 801.80 g/mol
• Exact Mass: 801.23
• IUPAC Name: 2-[3-[4-(2,6-diethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCOc1cccc(OCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C39H34N4O3.Pt/c1-5-44-36-15-10-16-37(45-6-2)39(36)28-24-41-42(25-28)29-11-9-12-30(22-29)46-31-17-18-33-32-13-7-8-14-34(32)43(35(33)23-31)38-21-27(26(3)4)19-20-40-38;/h7-21,24-26H,5-6H2,1-4H3;/q-2;+2
• InChIKey: BSFXVWNKTMNEOW-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 63.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.80
LogP ≤ 5	9.34
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-diethoxyphenyl)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-diethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412807) is 2-[3-[4-(2,6-diethoxyphenyl)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-diethoxyphenyl)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-diethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCOc1cccc(OCC)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-diethoxyphenyl)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 BSFXVWNKTMNEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O3.Pt/c1-5-44-36-15-10-16-37(45-6-2)39(36)28-24-41-42(25-28)29-11-9-12-30(22-29)46-31-17-18-33-32-13-7-8-14-34(32)43(35(33)23-31)38-21-27(26(3)4)19-20-40-38;/h7-21,24-26H,5-6H2,1-4H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2,6-diethoxyphenyl)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-diethoxyphenyl)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 801.80 g/mol, XLogP of 9.34, 10 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-diethoxyphenyl)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 153412807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).