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

C46H52N4OPt — CID 153416689

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

2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416689) has the molecular formula C46H52N4OPt and a molecular weight of 872.03 g/mol. Its IUPAC name is 2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416689
• Molecular Formula: C46H52N4OPt
• Molecular Weight: 872.03 g/mol
• Exact Mass: 871.38
• IUPAC Name: 2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(C6C(C(C)C)=CCC[C@@H]6C(C)C)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C46H52N4O.Pt/c1-10-14-33-21-22-47-44(23-33)49-42-18-12-11-15-40(42)41-20-19-36(27-43(41)49)51-37-25-34(28(2)3)24-35(26-37)50-32(9)45(31(8)48-50)46-38(29(4)5)16-13-17-39(46)30(6)7;/h11-12,15-16,18-25,28-30,39,46H,10,13-14,17H2,1-9H3;/q-2;+2/t39-,46?;/m1./s1
• InChIKey: FQGNESLQKNBXKB-ZZZLYKOGSA-N
• XLogP: 12.18
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.03
LogP ≤ 5	12.18
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 2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416689) is 2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(C6C(C(C)C)=CCC[C@@H]6C(C)C)c5C)cc(C(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is FQGNESLQKNBXKB-ZZZLYKOGSA-N. The full InChI is InChI=1S/C46H52N4O.Pt/c1-10-14-33-21-22-47-44(23-33)49-42-18-12-11-15-40(42)41-20-19-36(27-43(41)49)51-37-25-34(28(2)3)24-35(26-37)50-32(9)45(31(8)48-50)46-38(29(4)5)16-13-17-39(46)30(6)7;/h11-12,15-16,18-25,28-30,39,46H,10,13-14,17H2,1-9H3;/q-2;+2/t39-,46?;/m1./s1.

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

2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 872.03 g/mol, XLogP of 12.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[(6R)-2,6-di(propan-2-yl)cyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).