2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C44H42F6N4OPt — CID 153418043

About 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153418043) has the molecular formula C44H42F6N4OPt and a molecular weight of 951.91 g/mol. Its IUPAC name is 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153418043
• Molecular Formula: C44H42F6N4OPt
• Molecular Weight: 951.91 g/mol
• Exact Mass: 951.29
• IUPAC Name: 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C(C)C)ccn3)ccc2)c(CC(C)C)c1C1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.[Pt+2]
• InChI: InChI=1S/C44H42F6N4O.Pt/c1-25(2)21-39-41(42-35(43(45,46)47)14-10-15-36(42)44(48,49)50)28(6)52-54(39)30-11-9-12-31(23-30)55-32-17-18-34-33-13-7-8-16-37(33)53(38(34)24-32)40-22-29(19-20-51-40)27(5)26(3)4;/h7-9,11-14,16-20,22,25-27,36,42H,10,15,21H2,1-6H3;/q-2;+2/t27?,36-,42?;/m0./s1
• InChIKey: WHILFFDYMHFMDP-ZCFBQJNDSA-N
• XLogP: 12.57
• 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	951.91
LogP ≤ 5	12.57
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-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153418043) is 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C(C)C)ccn3)ccc2)c(CC(C)C)c1C1C(C(F)(F)F)=CCC[C@@H]1C(F)(F)F.[Pt+2].

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

The InChIKey is WHILFFDYMHFMDP-ZCFBQJNDSA-N. The full InChI is InChI=1S/C44H42F6N4O.Pt/c1-25(2)21-39-41(42-35(43(45,46)47)14-10-15-36(42)44(48,49)50)28(6)52-54(39)30-11-9-12-31(23-30)55-32-17-18-34-33-13-7-8-16-37(33)53(38(34)24-32)40-22-29(19-20-51-40)27(5)26(3)4;/h7-9,11-14,16-20,22,25-27,36,42H,10,15,21H2,1-6H3;/q-2;+2/t27?,36-,42?;/m0./s1.

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

2-[3-[4-[(6S)-2,6-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 951.91 g/mol, XLogP of 12.57, 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-bis(trifluoromethyl)cyclohex-2-en-1-yl]-3-methyl-5-(2-methylpropyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(3-methylbutan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153418043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).