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

C44H48N4OPt — CID 153416869

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

2-[3-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416869) has the molecular formula C44H48N4OPt and a molecular weight of 843.97 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153416869
• Molecular Formula: C44H48N4OPt
• Molecular Weight: 843.97 g/mol
• Exact Mass: 843.35
• IUPAC Name: 2-[3-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-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)ccc2)c1C(C)(C)C.[Pt+2]
• InChI: InChI=1S/C44H48N4O.Pt/c1-27(2)21-32-19-20-45-40(24-32)47-38-16-11-10-15-36(38)37-18-17-35(26-39(37)47)49-34-14-12-13-33(25-34)48-43(44(7,8)9)42(31(6)46-48)41-29(4)22-28(3)23-30(41)5;/h10-20,22,24,27-28,30,41H,21,23H2,1-9H3;/q-2;+2/t28-,30-,41?;/m0./s1
• InChIKey: YBYZQHTXNWVIQQ-GJDNYEQNSA-N
• XLogP: 11.26
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.97
LogP ≤ 5	11.26
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-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 153416869) is 2-[3-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-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)ccc2)c1C(C)(C)C.[Pt+2].

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

The InChIKey is YBYZQHTXNWVIQQ-GJDNYEQNSA-N. The full InChI is InChI=1S/C44H48N4O.Pt/c1-27(2)21-32-19-20-45-40(24-32)47-38-16-11-10-15-36(38)37-18-17-35(26-39(37)47)49-34-14-12-13-33(25-34)48-43(44(7,8)9)42(31(6)46-48)41-29(4)22-28(3)23-30(41)5;/h10-20,22,24,27-28,30,41H,21,23H2,1-9H3;/q-2;+2/t28-,30-,41?;/m0./s1.

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

2-[3-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 843.97 g/mol, XLogP of 11.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-3-methyl-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).