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

C54H46F5N4OPt-3 — CID 172531529

IUPAC2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-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(c3c(-c4c(F)c(F)c(F)c(F)c4F)cccc3C(C)(C)C)c3ccccc32)c1.[Pt]
InChIInChI=1S/C54H46F5N4O.Pt/c1-52(2,3)31-23-24-60-44(27-31)63-40-18-11-10-15-36(40)37-22-21-34(29-43(37)63)64-35-26-32(53(4,5)6)25-33(28-35)61-30-62(42-20-13-12-19-41(42)61)51-38(16-14-17-39(51)54(7,8)9)45-46(55)48(57)50(59)49(58)47(45)56;/h10-27,30H,1-9H3;/q-3;
InChIKeyLZKXQKLTDSSJEP-UHFFFAOYSA-N
MW1057.06 g/mol
LogP15.23
Rot. Bonds6

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

2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 172531529) has the molecular formula C54H46F5N4OPt-3 and a molecular weight of 1057.06 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
PubChem CID172531529
Molecular FormulaC54H46F5N4OPt-3
Molecular Weight1057.06 g/mol
Exact Mass1056.33
IUPAC Name2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-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(c3c(-c4c(F)c(F)c(F)c(F)c4F)cccc3C(C)(C)C)c3ccccc32)c1.[Pt]
InChIInChI=1S/C54H46F5N4O.Pt/c1-52(2,3)31-23-24-60-44(27-31)63-40-18-11-10-15-36(40)37-22-21-34(29-43(37)63)64-35-26-32(53(4,5)6)25-33(28-35)61-30-62(42-20-13-12-19-41(42)61)51-38(16-14-17-39(51)54(7,8)9)45-46(55)48(57)50(59)49(58)47(45)56;/h10-27,30H,1-9H3;/q-3;
InChIKeyLZKXQKLTDSSJEP-UHFFFAOYSA-N
XLogP15.23
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.06
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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

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Related Compounds

2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2,4,6-tritert-butylphenyl)benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 172530358
2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 172530507
2-[3-tert-butyl-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 172530591
2-[3-[3-(2-tert-butyl-6-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 153490740
2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 162480724
3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-N,N-diphenylbenzene-4-id-1-amine;platinum
CID 172531390
2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 165150169
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 172531232
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 155651584
2-[3-tert-butyl-5-[3-(9-phenylcarbazol-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 165150162
9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 172531408
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-ditert-butyl-4-(4-tert-butyl-2,6-dimethylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 176783738

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 172531529) is 2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-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(c3c(-c4c(F)c(F)c(F)c(F)c4F)cccc3C(C)(C)C)c3ccccc32)c1.[Pt].
What is the InChIKey of 2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The InChIKey is LZKXQKLTDSSJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46F5N4O.Pt/c1-52(2,3)31-23-24-60-44(27-31)63-40-18-11-10-15-36(40)37-22-21-34(29-43(37)63)64-35-26-32(53(4,5)6)25-33(28-35)61-30-62(42-20-13-12-19-41(42)61)51-38(16-14-17-39(51)54(7,8)9)45-46(55)48(57)50(59)49(58)47(45)56;/h10-27,30H,1-9H3;/q-3;.
What are the key properties of 2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1057.06 g/mol, XLogP of 15.23, 6 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-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 172531529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).