9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

C50H60N4OPt — CID 153417546

About 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)

9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417546) has the molecular formula C50H60N4OPt and a molecular weight of 928.13 g/mol. Its IUPAC name is 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417546
• Molecular Formula: C50H60N4OPt
• Molecular Weight: 928.13 g/mol
• Exact Mass: 927.44
• IUPAC Name: 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(C6C(C(C)(C)C)=C[C@H](C)C[C@@H]6C(C)(C)C)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C50H60N4O.Pt/c1-13-14-17-35-22-23-51-46(26-35)53-44-19-16-15-18-40(44)41-21-20-38(30-45(41)53)55-39-28-36(31(2)3)27-37(29-39)54-34(6)47(33(5)52-54)48-42(49(7,8)9)24-32(4)25-43(48)50(10,11)12;/h15-16,18-24,26-28,31-32,43,48H,13-14,17,25H2,1-12H3;/q-2;+2/t32-,43-,48?;/m0./s1
• InChIKey: KXEYIMCXLSBZNL-IFAIACQISA-N
• XLogP: 13.60
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.13
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) (CID 153417546) is 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(C6C(C(C)(C)C)=C[C@H](C)C[C@@H]6C(C)(C)C)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

What is the InChIKey of 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is KXEYIMCXLSBZNL-IFAIACQISA-N. The full InChI is InChI=1S/C50H60N4O.Pt/c1-13-14-17-35-22-23-51-46(26-35)53-44-19-16-15-18-40(44)41-21-20-38(30-45(41)53)55-39-28-36(31(2)3)27-37(29-39)54-34(6)47(33(5)52-54)48-42(49(7,8)9)24-32(4)25-43(48)50(10,11)12;/h15-16,18-24,26-28,31-32,43,48H,13-14,17,25H2,1-12H3;/q-2;+2/t32-,43-,48?;/m0./s1.

What are the key properties of 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)?

9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 928.13 g/mol, XLogP of 13.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-butyl-2-pyridinyl)-2-[3-[4-[(4R,6S)-2,6-ditert-butyl-4-methylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153417546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).