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

C39H34N4O2Pt — CID 153412823

About 2-[3-[4-(2,6-dipropylphenyl)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-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153412823) has the molecular formula C39H34N4O2Pt and a molecular weight of 785.80 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dipropylphenyl)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-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153412823
• Molecular Formula: C39H34N4O2Pt
• Molecular Weight: 785.80 g/mol
• Exact Mass: 785.23
• IUPAC Name: 2-[3-[4-(2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1cccc(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(OC)ccn3)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C39H34N4O2.Pt/c1-4-10-27-12-8-13-28(11-5-2)39(27)29-25-41-42(26-29)30-14-9-15-32(22-30)45-33-18-19-35-34-16-6-7-17-36(34)43(37(35)23-33)38-24-31(44-3)20-21-40-38;/h6-9,12-21,24-26H,4-5,10-11H2,1-3H3;/q-2;+2
• InChIKey: YYCDAYFJJRGDDR-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.80
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-dipropylphenyl)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-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153412823) is 2-[3-[4-(2,6-dipropylphenyl)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-dipropylphenyl)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-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCc1cccc(CCC)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-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YYCDAYFJJRGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O2.Pt/c1-4-10-27-12-8-13-28(11-5-2)39(27)29-25-41-42(26-29)30-14-9-15-32(22-30)45-33-18-19-35-34-16-6-7-17-36(34)43(37(35)23-33)38-24-31(44-3)20-21-40-38;/h6-9,12-21,24-26H,4-5,10-11H2,1-3H3;/q-2;+2.

What are the key properties of 2-[3-[4-(2,6-dipropylphenyl)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-dipropylphenyl)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 785.80 g/mol, XLogP of 9.34, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2,6-dipropylphenyl)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 153412823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).