2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

C201H186N12O4Pt4S-4 — CID 157408422

IUPAC2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5sc6ccccc6c45)cccc3n2-c2cccc3ccccc23)c(O)c(C(C)(C)C)c1.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)ccc3)cccc21.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc(-c4ccccc4)c3)cccc21.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C53H50N3O.C48H40N3OS.C47H46N3O.4Pt/c1-34(2)41-24-16-26-43(36-20-13-10-14-21-36)49(41)56-47-27-17-25-42(38-22-15-23-39(30-38)46-31-37(28-29-54-46)35-18-11-9-12-19-35)48(47)55-51(56)44-32-40(52(3,4)5)33-45(50(44)57)53(6,7)8;1-34(2)41-23-17-25-43(36-21-13-10-14-22-36)49(41)56-47-27-18-24-42(38-29-37(35-19-11-9-12-20-35)30-39(31-38)46-26-15-16-28-54-46)48(47)55-51(56)44-32-40(52(3,4)5)33-45(50(44)57)53(6,7)8;1-47(2,3)31-27-36(45(52)37(28-31)48(4,5)6)46-50-44-33(19-14-22-40(44)51(46)39-21-13-16-29-15-7-8-17-32(29)39)35-25-30(38-20-11-12-24-49-38)26-42-43(35)34-18-9-10-23-41(34)53-42;1-30(2)35-21-15-23-37(31-17-10-9-11-18-31)43(35)50-41-25-16-22-36(32-19-14-20-33(27-32)40-24-12-13-26-48-40)42(41)49-45(50)38-28-34(46(3,4)5)29-39(44(38)51)47(6,7)8;;;;/h9-29,31-34,57H,1-8H3;9-30,32-34,57H,1-8H3;7-24,26-28,52H,1-6H3;9-26,28-30,51H,1-8H3;;;;/q4*-1;;;;
InChIKeyOHCDRKLVFBSXJY-UHFFFAOYSA-N
MW3646.16 g/mol
LogP53.31
Rot. Bonds24

About 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 157408422) has the molecular formula C201H186N12O4Pt4S-4 and a molecular weight of 3646.16 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID157408422
Molecular FormulaC201H186N12O4Pt4S-4
Molecular Weight3646.16 g/mol
Exact Mass3643.31
IUPAC Name2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5sc6ccccc6c45)cccc3n2-c2cccc3ccccc23)c(O)c(C(C)(C)C)c1.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)ccc3)cccc21.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc(-c4ccccc4)c3)cccc21.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C53H50N3O.C48H40N3OS.C47H46N3O.4Pt/c1-34(2)41-24-16-26-43(36-20-13-10-14-21-36)49(41)56-47-27-17-25-42(38-22-15-23-39(30-38)46-31-37(28-29-54-46)35-18-11-9-12-19-35)48(47)55-51(56)44-32-40(52(3,4)5)33-45(50(44)57)53(6,7)8;1-34(2)41-23-17-25-43(36-21-13-10-14-22-36)49(41)56-47-27-18-24-42(38-29-37(35-19-11-9-12-20-35)30-39(31-38)46-26-15-16-28-54-46)48(47)55-51(56)44-32-40(52(3,4)5)33-45(50(44)57)53(6,7)8;1-47(2,3)31-27-36(45(52)37(28-31)48(4,5)6)46-50-44-33(19-14-22-40(44)51(46)39-21-13-16-29-15-7-8-17-32(29)39)35-25-30(38-20-11-12-24-49-38)26-42-43(35)34-18-9-10-23-41(34)53-42;1-30(2)35-21-15-23-37(31-17-10-9-11-18-31)43(35)50-41-25-16-22-36(32-19-14-20-33(27-32)40-24-12-13-26-48-40)42(41)49-45(50)38-28-34(46(3,4)5)29-39(44(38)51)47(6,7)8;;;;/h9-29,31-34,57H,1-8H3;9-30,32-34,57H,1-8H3;7-24,26-28,52H,1-6H3;9-26,28-30,51H,1-8H3;;;;/q4*-1;;;;
InChIKeyOHCDRKLVFBSXJY-UHFFFAOYSA-N
XLogP53.31
TPSA203.76 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms222
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003646.16
LogP ≤ 553.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-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-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (CID 157408422) is 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5sc6ccccc6c45)cccc3n2-c2cccc3ccccc23)c(O)c(C(C)(C)C)c1.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)ccc3)cccc21.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc(-c4ccccc4)c3)cccc21.CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc21.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is OHCDRKLVFBSXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H50N3O.C48H40N3OS.C47H46N3O.4Pt/c1-34(2)41-24-16-26-43(36-20-13-10-14-21-36)49(41)56-47-27-17-25-42(38-22-15-23-39(30-38)46-31-37(28-29-54-46)35-18-11-9-12-19-35)48(47)55-51(56)44-32-40(52(3,4)5)33-45(50(44)57)53(6,7)8;1-34(2)41-23-17-25-43(36-21-13-10-14-22-36)49(41)56-47-27-18-24-42(38-29-37(35-19-11-9-12-20-35)30-39(31-38)46-26-15-16-28-54-46)48(47)55-51(56)44-32-40(52(3,4)5)33-45(50(44)57)53(6,7)8;1-47(2,3)31-27-36(45(52)37(28-31)48(4,5)6)46-50-44-33(19-14-22-40(44)51(46)39-21-13-16-29-15-7-8-17-32(29)39)35-25-30(38-20-11-12-24-49-38)26-42-43(35)34-18-9-10-23-41(34)53-42;1-30(2)35-21-15-23-37(31-17-10-9-11-18-31)43(35)50-41-25-16-22-36(32-19-14-20-33(27-32)40-24-12-13-26-48-40)42(41)49-45(50)38-28-34(46(3,4)5)29-39(44(38)51)47(6,7)8;;;;/h9-29,31-34,57H,1-8H3;9-30,32-34,57H,1-8H3;7-24,26-28,52H,1-6H3;9-26,28-30,51H,1-8H3;;;;/q4*-1;;;;.
What are the key properties of 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 3646.16 g/mol, XLogP of 53.31, 24 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 157408422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).