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

C50H56N4OPt — CID 153441457

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

9-(4-tert-butyl-2-pyridinyl)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153441457) has the molecular formula C50H56N4OPt and a molecular weight of 924.10 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153441457
• Molecular Formula: C50H56N4OPt
• Molecular Weight: 924.10 g/mol
• Exact Mass: 923.41
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)CCCC(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(CCC)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C50H56N4O.Pt/c1-9-16-44-49(36-20-12-11-13-21-36)46(17-10-2)54(52-44)39-22-15-23-40(32-39)55-41-25-26-42-43-30-37(35(5)19-14-18-34(3)4)24-27-45(43)53(47(42)33-41)48-31-38(28-29-51-48)50(6,7)8;/h11-13,15,20-31,34-35H,9-10,14,16-19H2,1-8H3;/q-2;+2
• InChIKey: LOJWBVVWFIUQGI-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.10
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153441457) is 9-(4-tert-butyl-2-pyridinyl)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-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)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCCc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)CCCC(C)C)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c(CCC)c1-c1ccccc1.[Pt+2].

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

The InChIKey is LOJWBVVWFIUQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H56N4O.Pt/c1-9-16-44-49(36-20-12-11-13-21-36)46(17-10-2)54(52-44)39-22-15-23-40(32-39)55-41-25-26-42-43-30-37(35(5)19-14-18-34(3)4)24-27-45(43)53(47(42)33-41)48-31-38(28-29-51-48)50(6,7)8;/h11-13,15,20-31,34-35H,9-10,14,16-19H2,1-8H3;/q-2;+2.

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

9-(4-tert-butyl-2-pyridinyl)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 924.10 g/mol, XLogP of 13.55, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-6-(6-methylheptan-2-yl)-2-[3-(4-phenyl-3,5-dipropylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153441457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).