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-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C48H56N4OPt — CID 153416805

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-(2-methylpropyl)-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-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416805) 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-(2-methylpropyl)-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-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416805
• 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-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC1=C[C@H](C)C[C@H](C)C1c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC(C)C)ccn3)cc(C(C)(C)C)c2)c1C(C)(C)C.[Pt+2]
• InChI: InChI=1S/C48H56N4O.Pt/c1-29(2)21-34-19-20-49-43(24-34)51-41-16-14-13-15-39(41)40-18-17-37(28-42(40)51)53-38-26-35(47(7,8)9)25-36(27-38)52-46(48(10,11)12)45(33(6)50-52)44-31(4)22-30(3)23-32(44)5;/h13-20,22,24-26,29-30,32,44H,21,23H2,1-12H3;/q-2;+2/t30-,32-,44?;/m0./s1
• InChIKey: RUFVLQALLPLAPT-AREZTMAKSA-N
• XLogP: 12.56
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.08
LogP ≤ 5	12.56
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-(2-methylpropyl)-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-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153416805) 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-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is CC1=C[C@H](C)C[C@H](C)C1c1c(C)nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(CC(C)C)ccn3)cc(C(C)(C)C)c2)c1C(C)(C)C.[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-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is RUFVLQALLPLAPT-AREZTMAKSA-N. The full InChI is InChI=1S/C48H56N4O.Pt/c1-29(2)21-34-19-20-49-43(24-34)51-41-16-14-13-15-39(41)40-18-17-37(28-42(40)51)53-38-26-35(47(7,8)9)25-36(27-38)52-46(48(10,11)12)45(33(6)50-52)44-31(4)22-30(3)23-32(44)5;/h13-20,22,24-26,29-30,32,44H,21,23H2,1-12H3;/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-(2-methylpropyl)-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-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 900.08 g/mol, XLogP of 12.56, 7 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-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).