9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C45H38F3N4OPt-3 — CID 177104366

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3ccc(C(F)(F)F)cc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C45H38F3N4O.Pt/c1-43(2,3)30-21-22-49-42(25-30)52-38-12-8-7-11-36(38)37-20-19-34(27-41(37)52)53-35-24-31(44(4,5)6)23-33(26-35)51-28-50(39-13-9-10-14-40(39)51)32-17-15-29(16-18-32)45(46,47)48;/h7-25,28H,1-6H3;/q-3;
InChIKeyKVHGYKLTQRUMAA-UHFFFAOYSA-N
MW902.90 g/mol
LogP12.59
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 177104366) has the molecular formula C45H38F3N4OPt-3 and a molecular weight of 902.90 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
PubChem CID177104366
Molecular FormulaC45H38F3N4OPt-3
Molecular Weight902.90 g/mol
Exact Mass902.27
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3ccc(C(F)(F)F)cc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C45H38F3N4O.Pt/c1-43(2,3)30-21-22-49-42(25-30)52-38-12-8-7-11-36(38)37-20-19-34(27-41(37)52)53-35-24-31(44(4,5)6)23-33(26-35)51-28-50(39-13-9-10-14-40(39)51)32-17-15-29(16-18-32)45(46,47)48;/h7-25,28H,1-6H3;/q-3;
InChIKeyKVHGYKLTQRUMAA-UHFFFAOYSA-N
XLogP12.59
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.90
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 177104366) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(N2[CH-]N(c3ccc(C(F)(F)F)cc3)c3ccccc32)c1.[Pt].
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
The InChIKey is KVHGYKLTQRUMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38F3N4O.Pt/c1-43(2,3)30-21-22-49-42(25-30)52-38-12-8-7-11-36(38)37-20-19-34(27-41(37)52)53-35-24-31(44(4,5)6)23-33(26-35)51-28-50(39-13-9-10-14-40(39)51)32-17-15-29(16-18-32)45(46,47)48;/h7-25,28H,1-6H3;/q-3;.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum?
9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 902.90 g/mol, XLogP of 12.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[4-(trifluoromethyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177104366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).