2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+))

C119H106N12O3Pt3S3 — CID 157452746

About 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+))

2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+)) (PubChem CID 157452746) has the molecular formula C119H106N12O3Pt3S3 and a molecular weight of 2433.67 g/mol. Its IUPAC name is 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+)).

Molecular Properties

• Compound Name: 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+))
• PubChem CID: 157452746
• Molecular Formula: C119H106N12O3Pt3S3
• Molecular Weight: 2433.67 g/mol
• Exact Mass: 2431.66
• IUPAC Name: 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+))
• SMILES: CCCC(C)c1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(SC)ccn4)ccc3)c2)c(C)c1.CCCCc1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(SC)ccn4)ccc3)c2)c(C)c1.CSc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cc(CCC(C)C)cc6C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/2C40H36N4OS.C39H34N4OS.3Pt/c1-26(2)13-14-29-19-27(3)40(28(4)20-29)30-24-42-43(25-30)31-9-8-10-32(21-31)45-33-15-16-36-35-11-6-7-12-37(35)44(38(36)22-33)39-23-34(46-5)17-18-41-39;1-6-10-26(2)29-19-27(3)40(28(4)20-29)30-24-42-43(25-30)31-11-9-12-32(21-31)45-33-15-16-36-35-13-7-8-14-37(35)44(38(36)22-33)39-23-34(46-5)17-18-41-39;1-5-6-10-28-19-26(2)39(27(3)20-28)29-24-41-42(25-29)30-11-9-12-31(21-30)44-32-15-16-35-34-13-7-8-14-36(34)43(37(35)22-32)38-23-33(45-4)17-18-40-38;;;/h6-12,15-20,23-26H,13-14H2,1-5H3;7-9,11-20,23-26H,6,10H2,1-5H3;7-9,11-20,23-25H,5-6,10H2,1-4H3;;;/q3*-2;3*+2
• InChIKey: MLFINLLRHSZFLO-UHFFFAOYSA-N
• XLogP: 31.12
• TPSA: 134.61 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2433.67
LogP ≤ 5	31.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+))?

The IUPAC name of 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+)) (CID 157452746) is 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+)).

What is the SMILES notation for 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+))?

The canonical SMILES for 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+)) is CCCC(C)c1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(SC)ccn4)ccc3)c2)c(C)c1.CCCCc1cc(C)c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(SC)ccn4)ccc3)c2)c(C)c1.CSc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C)cc(CCC(C)C)cc6C)cn5)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+))?

The InChIKey is MLFINLLRHSZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H36N4OS.C39H34N4OS.3Pt/c1-26(2)13-14-29-19-27(3)40(28(4)20-29)30-24-42-43(25-30)31-9-8-10-32(21-31)45-33-15-16-36-35-11-6-7-12-37(35)44(38(36)22-33)39-23-34(46-5)17-18-41-39;1-6-10-26(2)29-19-27(3)40(28(4)20-29)30-24-42-43(25-30)31-11-9-12-32(21-31)45-33-15-16-36-35-13-7-8-14-37(35)44(38(36)22-33)39-23-34(46-5)17-18-41-39;1-5-6-10-28-19-26(2)39(27(3)20-28)29-24-41-42(25-29)30-11-9-12-31(21-30)44-32-15-16-35-34-13-7-8-14-36(34)43(37(35)22-32)38-23-33(45-4)17-18-40-38;;;/h6-12,15-20,23-26H,13-14H2,1-5H3;7-9,11-20,23-26H,6,10H2,1-5H3;7-9,11-20,23-25H,5-6,10H2,1-4H3;;;/q3*-2;3*+2.

What are the key properties of 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+))?

2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+)) has a molecular weight of 2433.67 g/mol, XLogP of 31.12, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(4-butyl-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-dimethyl-4-(3-methylbutyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pentan-2-ylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methylsulfanyl-2-pyridinyl)-1H-carbazol-1-ide;tris(platinum(2+)) is sourced from PubChem (CID 157452746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).