2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C48H56N4OPt — CID 153417957

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

2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153417957) has the molecular formula C48H56N4OPt and a molecular weight of 900.08 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153417957
• Molecular Formula: C48H56N4OPt
• Molecular Weight: 900.08 g/mol
• Exact Mass: 899.41
• IUPAC Name: 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(C6C(C)=C[C@H](C)C[C@@H]6C)c5C(C)(C)C)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt+2]
• InChI: InChI=1S/C48H56N4O.Pt/c1-12-13-16-34-21-22-49-43(25-34)51-41-18-15-14-17-39(41)40-20-19-37(29-42(40)51)53-38-27-35(47(6,7)8)26-36(28-38)52-46(48(9,10)11)45(33(5)50-52)44-31(3)23-30(2)24-32(44)4;/h14-15,17-23,25-27,30,32,44H,12-13,16,24H2,1-11H3;/q-2;+2/t30-,32-,44?;/m0./s1
• InChIKey: JPQPFBJSIPCSFK-AREZTMAKSA-N
• XLogP: 12.71
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.08
LogP ≤ 5	12.71
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-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153417957) is 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is CCCCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5nc(C)c(C6C(C)=C[C@H](C)C[C@@H]6C)c5C(C)(C)C)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt+2].

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

The InChIKey is JPQPFBJSIPCSFK-AREZTMAKSA-N. The full InChI is InChI=1S/C48H56N4O.Pt/c1-12-13-16-34-21-22-49-43(25-34)51-41-18-15-14-17-39(41)40-20-19-37(29-42(40)51)53-38-27-35(47(6,7)8)26-36(28-38)52-46(48(9,10)11)45(33(5)50-52)44-31(3)23-30(2)24-32(44)4;/h14-15,17-23,25-27,30,32,44H,12-13,16,24H2,1-11H3;/q-2;+2/t30-,32-,44?;/m0./s1.

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

2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 900.08 g/mol, XLogP of 12.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153417957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).