9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+)

C44H38N6OPt — CID 160582186

About 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+)

9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+) (PubChem CID 160582186) has the molecular formula C44H38N6OPt and a molecular weight of 861.91 g/mol. Its IUPAC name is 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+)
• PubChem CID: 160582186
• Molecular Formula: C44H38N6OPt
• Molecular Weight: 861.91 g/mol
• Exact Mass: 861.28
• IUPAC Name: 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+)
• SMILES: C.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5ccccc5c5cccnc54)ccn3)cc(C(C)(C)C)c2)n1.[Pt+2]
• InChI: InChI=1S/C43H34N6O.CH4.Pt/c1-27-21-28(2)49(46-27)31-22-29(43(3,4)5)23-33(24-31)50-32-16-17-36-34-11-6-9-15-39(34)48(40(36)26-32)41-25-30(18-20-44-41)47-38-14-8-7-12-35(38)37-13-10-19-45-42(37)47;;/h6-23,25H,1-5H3;1H4;/q-2;;+2
• InChIKey: AZBFBYWOJGNLCX-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 62.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.91
LogP ≤ 5	10.80
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-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+)?

The IUPAC name of 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+) (CID 160582186) is 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+).

What is the SMILES notation for 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+)?

The canonical SMILES for 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+) is C.Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-n4c5ccccc5c5cccnc54)ccn3)cc(C(C)(C)C)c2)n1.[Pt+2].

What is the InChIKey of 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+)?

The InChIKey is AZBFBYWOJGNLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N6O.CH4.Pt/c1-27-21-28(2)49(46-27)31-22-29(43(3,4)5)23-33(24-31)50-32-16-17-36-34-11-6-9-15-39(34)48(40(36)26-32)41-25-30(18-20-44-41)47-38-14-8-7-12-35(38)37-13-10-19-45-42(37)47;;/h6-23,25H,1-5H3;1H4;/q-2;;+2.

What are the key properties of 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+)?

9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+) has a molecular weight of 861.91 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]pyrido[2,3-b]indole;methane;platinum(2+) is sourced from PubChem (CID 160582186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).