2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C41H42N4OPt — CID 153417705

About 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417705) has the molecular formula C41H42N4OPt and a molecular weight of 801.89 g/mol. Its IUPAC name is 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417705
• Molecular Formula: C41H42N4OPt
• Molecular Weight: 801.89 g/mol
• Exact Mass: 801.30
• IUPAC Name: 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCC1=CCC[C@H](CC)C1c1c(CC)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1CC.[Pt+2]
• InChI: InChI=1S/C41H42N4O.Pt/c1-6-28-14-12-15-29(7-2)40(28)41-35(8-3)43-45(36(41)9-4)30-16-13-17-31(25-30)46-32-20-21-34-33-18-10-11-19-37(33)44(38(34)26-32)39-24-27(5)22-23-42-39;/h10-11,13-14,16-24,29,40H,6-9,12,15H2,1-5H3;/q-2;+2/t29-,40?;/m0./s1
• InChIKey: HCQJDYPGVNBOJS-JMZCWHBJSA-N
• XLogP: 10.43
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.89
LogP ≤ 5	10.43
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-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153417705) is 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCC1=CCC[C@H](CC)C1c1c(CC)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1CC.[Pt+2].

What is the InChIKey of 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is HCQJDYPGVNBOJS-JMZCWHBJSA-N. The full InChI is InChI=1S/C41H42N4O.Pt/c1-6-28-14-12-15-29(7-2)40(28)41-35(8-3)43-45(36(41)9-4)30-16-13-17-31(25-30)46-32-20-21-34-33-18-10-11-19-37(33)44(38(34)26-32)39-24-27(5)22-23-42-39;/h10-11,13-14,16-24,29,40H,6-9,12,15H2,1-5H3;/q-2;+2/t29-,40?;/m0./s1.

What are the key properties of 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 801.89 g/mol, XLogP of 10.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[(6S)-2,6-diethylcyclohex-2-en-1-yl]-3,5-diethylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153417705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).