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

C49H58N4OPt — CID 153415960

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

2-[3-tert-butyl-5-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153415960) has the molecular formula C49H58N4OPt and a molecular weight of 914.11 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153415960
• Molecular Formula: C49H58N4OPt
• Molecular Weight: 914.11 g/mol
• Exact Mass: 913.43
• IUPAC Name: 2-[3-tert-butyl-5-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-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(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c1CCC(C)C.[Pt+2]
• InChI: InChI=1S/C49H58N4O.Pt/c1-30(2)17-20-43-47(46-32(4)23-31(3)24-33(46)5)34(6)51-53(43)37-25-36(49(10,11)12)26-39(28-37)54-38-18-19-41-40-15-13-14-16-42(40)52(44(41)29-38)45-27-35(21-22-50-45)48(7,8)9;/h13-16,18-19,21-23,25-27,30-31,33,46H,17,20,24H2,1-12H3;/q-2;+2/t31-,33-,46?;/m0./s1
• InChIKey: NJUMPUCVIURJKQ-HLTOANBNSA-N
• XLogP: 12.95
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.11
LogP ≤ 5	12.95
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-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-tert-butyl-5-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153415960) is 2-[3-tert-butyl-5-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-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(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)c1CCC(C)C.[Pt+2].

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

The InChIKey is NJUMPUCVIURJKQ-HLTOANBNSA-N. The full InChI is InChI=1S/C49H58N4O.Pt/c1-30(2)17-20-43-47(46-32(4)23-31(3)24-33(46)5)34(6)51-53(43)37-25-36(49(10,11)12)26-39(28-37)54-38-18-19-41-40-15-13-14-16-42(40)52(44(41)29-38)45-27-35(21-22-50-45)48(7,8)9;/h13-16,18-19,21-23,25-27,30-31,33,46H,17,20,24H2,1-12H3;/q-2;+2/t31-,33-,46?;/m0./s1.

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

2-[3-tert-butyl-5-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 914.11 g/mol, XLogP of 12.95, 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-[3-methyl-5-(3-methylbutyl)-4-[(4R,6S)-2,4,6-trimethylcyclohex-2-en-1-yl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153415960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).