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

C168H138N9O4Pt3S2-3 — CID 157066948

IUPAC2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4sc4ccccc45)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5oc6ccccc6c45)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5sc6ccccc6c45)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C56H46N3O2.2C56H46N3OS.3Pt/c2*1-55(2,3)39-33-44(53(60)45(34-39)56(4,5)6)54-58-52-40(43-31-38(46-24-15-16-29-57-46)32-50-51(43)41-22-13-14-26-49(41)61-50)23-17-25-48(52)59(54)47-28-27-37(35-18-9-7-10-19-35)30-42(47)36-20-11-8-12-21-36;1-55(2,3)39-33-45(52(60)46(34-39)56(4,5)6)54-58-51-41(44-32-38(47-24-15-16-29-57-47)31-43-40-22-13-14-26-50(40)61-53(43)44)23-17-25-49(51)59(54)48-28-27-37(35-18-9-7-10-19-35)30-42(48)36-20-11-8-12-21-36;;;/h2*7-30,32-34,60H,1-6H3;7-31,33-34,60H,1-6H3;;;/q3*-1;;;
InChIKeyDSDGYPWTJOKAHQ-UHFFFAOYSA-N
MW2996.38 g/mol
LogP45.20
Rot. Bonds18

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

2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 157066948) has the molecular formula C168H138N9O4Pt3S2-3 and a molecular weight of 2996.38 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID157066948
Molecular FormulaC168H138N9O4Pt3S2-3
Molecular Weight2996.38 g/mol
Exact Mass2993.93
IUPAC Name2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4sc4ccccc45)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5oc6ccccc6c45)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5sc6ccccc6c45)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt]
InChIInChI=1S/C56H46N3O2.2C56H46N3OS.3Pt/c2*1-55(2,3)39-33-44(53(60)45(34-39)56(4,5)6)54-58-52-40(43-31-38(46-24-15-16-29-57-46)32-50-51(43)41-22-13-14-26-49(41)61-50)23-17-25-48(52)59(54)47-28-27-37(35-18-9-7-10-19-35)30-42(47)36-20-11-8-12-21-36;1-55(2,3)39-33-45(52(60)46(34-39)56(4,5)6)54-58-51-41(44-32-38(47-24-15-16-29-57-47)31-43-40-22-13-14-26-50(40)61-53(43)44)23-17-25-49(51)59(54)48-28-27-37(35-18-9-7-10-19-35)30-42(48)36-20-11-8-12-21-36;;;/h2*7-30,32-34,60H,1-6H3;7-31,33-34,60H,1-6H3;;;/q3*-1;;;
InChIKeyDSDGYPWTJOKAHQ-UHFFFAOYSA-N
XLogP45.20
TPSA165.96 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002996.38
LogP ≤ 545.20
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-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum with MolForge

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Related Compounds

CID 157652393
CID 157652393
CID 157743742
CID 157743742
2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;2-[1-phenyl-4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]benzimidazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum
CID 158586523
CID 159485479
CID 159485479
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
2-[1-methyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]-4-phenylphenol;2-[4-[6-[3-(N-phenylanilino)benzene-6-id-1-yl]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,3-benzothiazol-2-yl]phenol;4-phenyl-2-[4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]-1,3-benzothiazol-2-yl]phenol;4-phenyl-2-[1-phenyl-4-[3-[3-(N-phenylanilino)benzene-6-id-1-yl]-[1]benzofuro[2,3-c]pyridin-1-yl]benzimidazol-2-yl]phenol;platinum
CID 160860604
15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-oxa-17,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;12-phenyl-17-oxa-9-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1,3,5,7,9,11,13,15,18,20,22,24-dodecaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 161212579
CID 161814794
CID 161814794
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 57958355
8-[6-[8-[8-[6-[8-[8-[6-[8-[8-[6-[8-(8-Pyridin-2-ylpyrido[3,2-b]indol-5-yl)-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099830

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (CID 157066948) is 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5c4sc4ccccc45)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5oc6ccccc6c45)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5sc6ccccc6c45)cccc3n2-c2ccc(-c3ccccc3)cc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is DSDGYPWTJOKAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N3O2.2C56H46N3OS.3Pt/c2*1-55(2,3)39-33-44(53(60)45(34-39)56(4,5)6)54-58-52-40(43-31-38(46-24-15-16-29-57-46)32-50-51(43)41-22-13-14-26-49(41)61-50)23-17-25-48(52)59(54)47-28-27-37(35-18-9-7-10-19-35)30-42(47)36-20-11-8-12-21-36;1-55(2,3)39-33-45(52(60)46(34-39)56(4,5)6)54-58-51-41(44-32-38(47-24-15-16-29-57-47)31-43-40-22-13-14-26-50(40)61-53(43)44)23-17-25-49(51)59(54)48-28-27-37(35-18-9-7-10-19-35)30-42(48)36-20-11-8-12-21-36;;;/h2*7-30,32-34,60H,1-6H3;7-31,33-34,60H,1-6H3;;;/q3*-1;;;.
What are the key properties of 2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 2996.38 g/mol, XLogP of 45.20, 18 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-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 157066948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).