2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole

C166H115N17OSi — CID 158637971

IUPAC2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole
SMILESC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccc(-c3cc(-c4nc5ccccc5o4)nc(-c4cccc5ccccc45)n3)cc2)=C1c1ccccc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3-c3cccnc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cc(-c4cccnc4)cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C51H37N3OSi.2C40H27N5.C35H24N4/c1-56(2)48(38-20-8-4-9-21-38)46(36-18-6-3-7-19-36)47(49(56)39-22-10-5-11-23-39)37-31-29-35(30-32-37)43-33-44(51-54-42-27-14-15-28-45(42)55-51)53-50(52-43)41-26-16-24-34-17-12-13-25-40(34)41;1-2-12-35(13-3-1)45-39-15-5-4-14-38(39)44-40(45)37-24-28(16-17-36(37)31-11-8-20-43-27-31)32-21-33(29-9-6-18-41-25-29)23-34(22-32)30-10-7-19-42-26-30;1-2-12-37(13-3-1)45-39-15-5-4-14-38(39)44-40(45)36-23-33(30-11-8-18-43-27-30)22-35(24-36)34-20-31(28-9-6-16-41-25-28)19-32(21-34)29-10-7-17-42-26-29;1-2-13-32(14-3-1)39-34-16-5-4-15-33(34)38-35(39)26-10-6-9-25(19-26)29-20-30(27-11-7-17-36-23-27)22-31(21-29)28-12-8-18-37-24-28/h3-33H,1-2H3;2*1-27H;1-24H
InChIKeyHZZWPDBILKIIEG-UHFFFAOYSA-N
MW2391.95 g/mol
LogP40.67
Rot. Bonds24

About 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole

2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole (PubChem CID 158637971) has the molecular formula C166H115N17OSi and a molecular weight of 2391.95 g/mol. Its IUPAC name is 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole
PubChem CID158637971
Molecular FormulaC166H115N17OSi
Molecular Weight2391.95 g/mol
Exact Mass2389.92
IUPAC Name2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole
SMILESC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccc(-c3cc(-c4nc5ccccc5o4)nc(-c4cccc5ccccc45)n3)cc2)=C1c1ccccc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3-c3cccnc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cc(-c4cccnc4)cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C51H37N3OSi.2C40H27N5.C35H24N4/c1-56(2)48(38-20-8-4-9-21-38)46(36-18-6-3-7-19-36)47(49(56)39-22-10-5-11-23-39)37-31-29-35(30-32-37)43-33-44(51-54-42-27-14-15-28-45(42)55-51)53-50(52-43)41-26-16-24-34-17-12-13-25-40(34)41;1-2-12-35(13-3-1)45-39-15-5-4-14-38(39)44-40(45)37-24-28(16-17-36(37)31-11-8-20-43-27-31)32-21-33(29-9-6-18-41-25-29)23-34(22-32)30-10-7-19-42-26-30;1-2-12-37(13-3-1)45-39-15-5-4-14-38(39)44-40(45)36-23-33(30-11-8-18-43-27-30)22-35(24-36)34-20-31(28-9-6-16-41-25-28)19-32(21-34)29-10-7-17-42-26-29;1-2-13-32(14-3-1)39-34-16-5-4-15-33(34)38-35(39)26-10-6-9-25(19-26)29-20-30(27-11-7-17-36-23-27)22-31(21-29)28-12-8-18-37-24-28/h3-33H,1-2H3;2*1-27H;1-24H
InChIKeyHZZWPDBILKIIEG-UHFFFAOYSA-N
XLogP40.67
TPSA208.39 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002391.95
LogP ≤ 540.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole with MolForge

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Related Compounds

2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole
CID 158610453
2-[4-anthracen-9-yl-6-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-1,3-benzoxazole;2-[3-carbazol-9-yl-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzothiazole;2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole
CID 162076297
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
CID 71104991
4-[3-(3,5-dipyridin-3-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]isoquinoline
CID 58479961
2-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;2-[3,5-di(carbazol-9-yl)phenyl]-4,6-dipyridin-3-yl-1,3-benzoxazole;2-(2,6-diphenylpyrimidin-4-yl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole
CID 159949573
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;9-(4-methylphenyl)-3,6-bis[2-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 162206431
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583291
9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891
1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole
CID 155186055
6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole
CID 157073443
CID 89196743
CID 89196743
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine;4,6-dipyridin-3-yl-2-(4-triphenylen-2-ylphenyl)pyrimidine;1-phenyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;2-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 158734176

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole (CID 158637971) is 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole is C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccc(-c3cc(-c4nc5ccccc5o4)nc(-c4cccc5ccccc45)n3)cc2)=C1c1ccccc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3-c3cccnc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cc(-c4cccnc4)cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole?
The InChIKey is HZZWPDBILKIIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3OSi.2C40H27N5.C35H24N4/c1-56(2)48(38-20-8-4-9-21-38)46(36-18-6-3-7-19-36)47(49(56)39-22-10-5-11-23-39)37-31-29-35(30-32-37)43-33-44(51-54-42-27-14-15-28-45(42)55-51)53-50(52-43)41-26-16-24-34-17-12-13-25-40(34)41;1-2-12-35(13-3-1)45-39-15-5-4-14-38(39)44-40(45)37-24-28(16-17-36(37)31-11-8-20-43-27-31)32-21-33(29-9-6-18-41-25-29)23-34(22-32)30-10-7-19-42-26-30;1-2-12-37(13-3-1)45-39-15-5-4-14-38(39)44-40(45)36-23-33(30-11-8-18-43-27-30)22-35(24-36)34-20-31(28-9-6-16-41-25-28)19-32(21-34)29-10-7-17-42-26-29;1-2-13-32(14-3-1)39-34-16-5-4-15-33(34)38-35(39)26-10-6-9-25(19-26)29-20-30(27-11-7-17-36-23-27)22-31(21-29)28-12-8-18-37-24-28/h3-33H,1-2H3;2*1-27H;1-24H.
What are the key properties of 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole?
2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole has a molecular weight of 2391.95 g/mol, XLogP of 40.67, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 158637971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).