9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)

C55H45F3N4O2Pt — CID 169301833

About 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 169301833) has the molecular formula C55H45F3N4O2Pt and a molecular weight of 1046.06 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 169301833
• Molecular Formula: C55H45F3N4O2Pt
• Molecular Weight: 1046.06 g/mol
• Exact Mass: 1045.31
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc2c1oc1cc(-c3ccccc3C(F)(F)F)ccc12.[Pt+2]
• InChI: InChI=1S/C55H45F3N4O2.Pt/c1-32(2)38-15-12-16-39(33(3)4)51(38)61-26-25-60-53(61)45-30-37(29-44-43-21-19-34(27-49(43)64-52(44)45)40-13-8-10-17-46(40)55(56,57)58)63-36-20-22-42-41-14-9-11-18-47(41)62(48(42)31-36)50-28-35(23-24-59-50)54(5,6)7;/h8-29,32-33H,1-7H3;/q-2;+2
• InChIKey: OSVNDLSEVSYDRD-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 58.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.06
LogP ≤ 5	15.55
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 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) (CID 169301833) is 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc2c1oc1cc(-c3ccccc3C(F)(F)F)ccc12.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is OSVNDLSEVSYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45F3N4O2.Pt/c1-32(2)38-15-12-16-39(33(3)4)51(38)61-26-25-60-53(61)45-30-37(29-44-43-21-19-34(27-49(43)64-52(44)45)40-13-8-10-17-46(40)55(56,57)58)63-36-20-22-42-41-14-9-11-18-47(41)62(48(42)31-36)50-28-35(23-24-59-50)54(5,6)7;/h8-29,32-33H,1-7H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1046.06 g/mol, XLogP of 15.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 169301833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).