9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)

C55H49N5OPt — CID 171769457

About 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)

9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) (PubChem CID 171769457) has the molecular formula C55H49N5OPt and a molecular weight of 991.11 g/mol. Its IUPAC name is 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)
• PubChem CID: 171769457
• Molecular Formula: C55H49N5OPt
• Molecular Weight: 991.11 g/mol
• Exact Mass: 990.36
• IUPAC Name: 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ncc(C)c(-n4c5c(C)ccc(C)c5c5c(C)ccc(C)c54)c3C)cc(C(C)(C)c3ccccc3)c2)n1.[Pt+2]
• InChI: InChI=1S/C55H49N5O.Pt/c1-32-20-22-34(3)52-49(32)50-33(2)21-23-35(4)53(50)59(52)51-36(5)31-56-54(39(51)8)58-47-19-15-14-18-45(47)46-25-24-43(30-48(46)58)61-44-28-41(55(9,10)40-16-12-11-13-17-40)27-42(29-44)60-38(7)26-37(6)57-60;/h11-28,31H,1-10H3;/q-2;+2
• InChIKey: AMFCYUJMAWZTER-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.11
LogP ≤ 5	13.64
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 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)?

The IUPAC name of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) (CID 171769457) is 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+).

What is the SMILES notation for 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)?

The canonical SMILES for 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) is Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ncc(C)c(-n4c5c(C)ccc(C)c5c5c(C)ccc(C)c54)c3C)cc(C(C)(C)c3ccccc3)c2)n1.[Pt+2].

What is the InChIKey of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)?

The InChIKey is AMFCYUJMAWZTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H49N5O.Pt/c1-32-20-22-34(3)52-49(32)50-33(2)21-23-35(4)53(50)59(52)51-36(5)31-56-54(39(51)8)58-47-19-15-14-18-45(47)46-25-24-43(30-48(46)58)61-44-28-41(55(9,10)40-16-12-11-13-17-40)27-42(29-44)60-38(7)26-37(6)57-60;/h11-28,31H,1-10H3;/q-2;+2.

What are the key properties of 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)?

9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) has a molecular weight of 991.11 g/mol, XLogP of 13.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-3,5-dimethyl-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+) is sourced from PubChem (CID 171769457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).