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

C57H57N5OPt-2 — CID 171765562

IUPAC2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccn3)c3cc(C(C)(C)C)ccc32)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C57H57N5O.Pt/c1-54(2,3)39-19-23-49-51(32-39)61(36-60(49)43-30-41(56(7,8)9)29-42(31-43)57(10,11)12)52-35-45(25-27-58-52)63-44-20-21-46-47-28-38(37-16-14-13-15-17-37)18-22-48(47)62(50(46)34-44)53-33-40(24-26-59-53)55(4,5)6;/h13-33H,1-12H3;/q-2;
InChIKeyHNPLROHXEPOWTA-UHFFFAOYSA-N
MW1023.19 g/mol
LogP13.84
Rot. Bonds6

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

2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 171765562) has the molecular formula C57H57N5OPt-2 and a molecular weight of 1023.19 g/mol. Its IUPAC name is 2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
PubChem CID171765562
Molecular FormulaC57H57N5OPt-2
Molecular Weight1023.19 g/mol
Exact Mass1022.42
IUPAC Name2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccn3)c3cc(C(C)(C)C)ccc32)cc(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C57H57N5O.Pt/c1-54(2,3)39-19-23-49-51(32-39)61(36-60(49)43-30-41(56(7,8)9)29-42(31-43)57(10,11)12)52-35-45(25-27-58-52)63-44-20-21-46-47-28-38(37-16-14-13-15-17-37)18-22-48(47)62(50(46)34-44)53-33-40(24-26-59-53)55(4,5)6;/h13-33H,1-12H3;/q-2;
InChIKeyHNPLROHXEPOWTA-UHFFFAOYSA-N
XLogP13.84
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.19
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171765721
2-[[2-[3-[3,5-bis(3-deuteriopentan-3-yl)phenyl]-6-phenyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171765381
2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-6-phenyl-9-[4-(1,1,2-trideuterio-2-methylpropyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 171765507
5,10-ditert-butyl-15-[9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene;platinum
CID 166562739
2-[[2-[3-[3,5-bis(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171765663
2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 155657262
2-[[2-[3-[3,5-bis(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-5-tert-butyl-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171765606
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
CID 162449140
9-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
CID 171765781
9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[3-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
CID 171765807
2-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171426947
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
CID 162449036

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum (CID 171765562) is 2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccn3)c3cc(C(C)(C)C)ccc32)cc(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum?
The InChIKey is HNPLROHXEPOWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H57N5O.Pt/c1-54(2,3)39-19-23-49-51(32-39)61(36-60(49)43-30-41(56(7,8)9)29-42(31-43)57(10,11)12)52-35-45(25-27-58-52)63-44-20-21-46-47-28-38(37-16-14-13-15-17-37)18-22-48(47)62(50(46)34-44)53-33-40(24-26-59-53)55(4,5)6;/h13-33H,1-12H3;/q-2;.
What are the key properties of 2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum?
2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1023.19 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171765562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).