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

C45H42N4OPt — CID 153417023

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

2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417023) has the molecular formula C45H42N4OPt and a molecular weight of 849.94 g/mol. Its IUPAC name is 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417023
• Molecular Formula: C45H42N4OPt
• Molecular Weight: 849.94 g/mol
• Exact Mass: 849.30
• IUPAC Name: 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC1=CCC[C@H](C)C1c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)cc(C(C)C)c2)c1C.[Pt+2]
• InChI: InChI=1S/C45H42N4O.Pt/c1-28(2)35-23-36(49-32(6)45(31(5)47-49)44-29(3)13-12-14-30(44)4)26-38(24-35)50-37-19-20-40-39-17-10-11-18-41(39)48(42(40)27-37)43-25-34(21-22-46-43)33-15-8-7-9-16-33;/h7-11,13,15-25,28,30,44H,12,14H2,1-6H3;/q-2;+2/t30-,44?;/m0./s1
• InChIKey: MYAXDIUUPAISJJ-YHZLIQLPSA-N
• XLogP: 11.62
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.94
LogP ≤ 5	11.62
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-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153417023) is 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CC1=CCC[C@H](C)C1c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)cc(C(C)C)c2)c1C.[Pt+2].

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

The InChIKey is MYAXDIUUPAISJJ-YHZLIQLPSA-N. The full InChI is InChI=1S/C45H42N4O.Pt/c1-28(2)35-23-36(49-32(6)45(31(5)47-49)44-29(3)13-12-14-30(44)4)26-38(24-35)50-37-19-20-40-39-17-10-11-18-41(39)48(42(40)27-37)43-25-34(21-22-46-43)33-15-8-7-9-16-33;/h7-11,13,15-25,28,30,44H,12,14H2,1-6H3;/q-2;+2/t30-,44?;/m0./s1.

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

2-[3-[4-[(6S)-2,6-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 849.94 g/mol, XLogP of 11.62, 7 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-dimethylcyclohex-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153417023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).