2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum

C57H54N5OPt-3 — CID 155651837

About 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum

2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum (PubChem CID 155651837) has the molecular formula C57H54N5OPt-3 and a molecular weight of 1020.17 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 155651837
• Molecular Formula: C57H54N5OPt-3
• Molecular Weight: 1020.17 g/mol
• Exact Mass: 1019.40
• IUPAC Name: 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum
• SMILES: CC1=C(C)N(c2cc(C(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2cc(C(C)(C)C)ccn2)ccc1.[Pt]
• InChI: InChI=1S/C57H54N5O.Pt/c1-36(2)39-28-41(57(8,9)10)30-44(29-39)60-35-59(37(3)38(60)4)42-16-15-17-45(32-42)63-46-23-24-49-50-33-43(61-51-20-13-11-18-47(51)48-19-12-14-21-52(48)61)22-25-53(50)62(54(49)34-46)55-31-40(26-27-58-55)56(5,6)7;/h11-31,33,35-36H,1-10H3;/q-3
• InChIKey: NLRMADPZBOYSPR-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.17
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum (CID 155651837) is 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum is CC1=C(C)N(c2cc(C(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2cc(C(C)(C)C)ccn2)ccc1.[Pt].

What is the InChIKey of 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum?

The InChIKey is NLRMADPZBOYSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H54N5O.Pt/c1-36(2)39-28-41(57(8,9)10)30-44(29-39)60-35-59(37(3)38(60)4)42-16-15-17-45(32-42)63-46-23-24-49-50-33-43(61-51-20-13-11-18-47(51)48-19-12-14-21-52(48)61)22-25-53(50)62(54(49)34-46)55-31-40(26-27-58-55)56(5,6)7;/h11-31,33,35-36H,1-10H3;/q-3;.

What are the key properties of 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum?

2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1020.17 g/mol, XLogP of 15.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butyl-5-propan-2-ylphenyl)-4,5-dimethyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155651837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).