2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum

C174H143N10O4Pt3S-3 — CID 161169995

IUPAC2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5c6ccccc6n(-c6ccccc6)c5c4)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4oc4ccccc45)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4sc4ccccc45)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C62H51N4O.C56H46N3O2.C56H46N3OS.3Pt/c1-61(2,3)43-38-50(59(67)51(39-43)62(4,5)6)60-64-57-45(29-21-34-54(57)66(60)58-46(40-22-10-7-11-23-40)30-20-31-47(58)41-24-12-8-13-25-41)42-36-49(52-32-18-19-35-63-52)56-48-28-16-17-33-53(48)65(55(56)37-42)44-26-14-9-15-27-44;2*1-55(2,3)38-33-45(52(60)46(34-38)56(4,5)6)54-58-50-42(44-32-37(47-27-15-16-30-57-47)31-43-41-23-13-14-29-49(41)61-53(43)44)26-18-28-48(50)59(54)51-39(35-19-9-7-10-20-35)24-17-25-40(51)36-21-11-8-12-22-36;;;/h7-35,37-39,67H,1-6H3;2*7-31,33-34,60H,1-6H3;;;/q3*-1;;;
InChIKeyMRHNRORSLFPHCH-UHFFFAOYSA-N
MW3055.42 g/mol
LogP45.93
Rot. Bonds19

About 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 161169995) has the molecular formula C174H143N10O4Pt3S-3 and a molecular weight of 3055.42 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID161169995
Molecular FormulaC174H143N10O4Pt3S-3
Molecular Weight3055.42 g/mol
Exact Mass3053.00
IUPAC Name2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5c6ccccc6n(-c6ccccc6)c5c4)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4oc4ccccc45)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4sc4ccccc45)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C62H51N4O.C56H46N3O2.C56H46N3OS.3Pt/c1-61(2,3)43-38-50(59(67)51(39-43)62(4,5)6)60-64-57-45(29-21-34-54(57)66(60)58-46(40-22-10-7-11-23-40)30-20-31-47(58)41-24-12-8-13-25-41)42-36-49(52-32-18-19-35-63-52)56-48-28-16-17-33-53(48)65(55(56)37-42)44-26-14-9-15-27-44;2*1-55(2,3)38-33-45(52(60)46(34-38)56(4,5)6)54-58-50-42(44-32-37(47-27-15-16-30-57-47)31-43-41-23-13-14-29-49(41)61-53(43)44)26-18-28-48(50)59(54)51-39(35-19-9-7-10-20-35)24-17-25-40(51)36-21-11-8-12-22-36;;;/h7-35,37-39,67H,1-6H3;2*7-31,33-34,60H,1-6H3;;;/q3*-1;;;
InChIKeyMRHNRORSLFPHCH-UHFFFAOYSA-N
XLogP45.93
TPSA170.89 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003055.42
LogP ≤ 545.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum (CID 161169995) is 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5c6ccccc6n(-c6ccccc6)c5c4)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4oc4ccccc45)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4sc4ccccc45)cccc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is MRHNRORSLFPHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N4O.C56H46N3O2.C56H46N3OS.3Pt/c1-61(2,3)43-38-50(59(67)51(39-43)62(4,5)6)60-64-57-45(29-21-34-54(57)66(60)58-46(40-22-10-7-11-23-40)30-20-31-47(58)41-24-12-8-13-25-41)42-36-49(52-32-18-19-35-63-52)56-48-28-16-17-33-53(48)65(55(56)37-42)44-26-14-9-15-27-44;2*1-55(2,3)38-33-45(52(60)46(34-38)56(4,5)6)54-58-50-42(44-32-37(47-27-15-16-30-57-47)31-43-41-23-13-14-29-49(41)61-53(43)44)26-18-28-48(50)59(54)51-39(35-19-9-7-10-20-35)24-17-25-40(51)36-21-11-8-12-22-36;;;/h7-35,37-39,67H,1-6H3;2*7-31,33-34,60H,1-6H3;;;/q3*-1;;;.
What are the key properties of 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 3055.42 g/mol, XLogP of 45.93, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(9-phenyl-4-pyridin-2-yl-3H-carbazol-3-id-2-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 161169995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).