2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole

C194H125N9O4 — CID 157143929

IUPAC2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5cccc(-c6ccccc6)c5)cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4o3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)oc4c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)oc4c3)c2)cc1.c1cncc(-c2ccc(-c3ccc(-c4nc5c(-c6ccnc7ccccc67)cc(-c6cccc7cnccc67)cc5o4)cc3)cc2)c1
InChIInChI=1S/C56H35NO.C49H33NO.C47H31N3O.C42H26N4O/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)55-57-54-48(42-19-13-18-40(32-42)37-16-5-2-6-17-37)33-43(35-53(54)58-55)41-30-31-47-46-22-9-12-25-51(46)56(52(47)34-41)49-23-10-7-20-44(49)45-21-8-11-24-50(45)56;1-5-15-34(16-6-1)38-23-13-25-40(29-38)43-32-46(41-26-14-24-39(30-41)35-17-7-2-8-18-35)48-47(33-43)51-49(50-48)42-27-28-44(36-19-9-3-10-20-36)45(31-42)37-21-11-4-12-22-37;1-3-11-32(12-4-1)34-15-7-17-36(23-34)42-28-44(37-18-8-16-35(24-37)33-13-5-2-6-14-33)46-45(29-42)51-47(50-46)43-26-40(38-19-9-21-48-30-38)25-41(27-43)39-20-10-22-49-31-39;1-2-9-39-37(7-1)36(19-22-45-39)38-23-33(34-8-3-5-32-26-44-21-18-35(32)34)24-40-41(38)46-42(47-40)30-16-14-28(15-17-30)27-10-12-29(13-11-27)31-6-4-20-43-25-31/h1-35H;1-33H;1-31H;1-26H
InChIKeyAKMOLWUEUKUZCY-UHFFFAOYSA-N
MW2646.19 g/mol
LogP50.94
Rot. Bonds24

About 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole

2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole (PubChem CID 157143929) has the molecular formula C194H125N9O4 and a molecular weight of 2646.19 g/mol. Its IUPAC name is 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
PubChem CID157143929
Molecular FormulaC194H125N9O4
Molecular Weight2646.19 g/mol
Exact Mass2643.99
IUPAC Name2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3nc4c(-c5cccc(-c6ccccc6)c5)cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4o3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)oc4c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)oc4c3)c2)cc1.c1cncc(-c2ccc(-c3ccc(-c4nc5c(-c6ccnc7ccccc67)cc(-c6cccc7cnccc67)cc5o4)cc3)cc2)c1
InChIInChI=1S/C56H35NO.C49H33NO.C47H31N3O.C42H26N4O/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)55-57-54-48(42-19-13-18-40(32-42)37-16-5-2-6-17-37)33-43(35-53(54)58-55)41-30-31-47-46-22-9-12-25-51(46)56(52(47)34-41)49-23-10-7-20-44(49)45-21-8-11-24-50(45)56;1-5-15-34(16-6-1)38-23-13-25-40(29-38)43-32-46(41-26-14-24-39(30-41)35-17-7-2-8-18-35)48-47(33-43)51-49(50-48)42-27-28-44(36-19-9-3-10-20-36)45(31-42)37-21-11-4-12-22-37;1-3-11-32(12-4-1)34-15-7-17-36(23-34)42-28-44(37-18-8-16-35(24-37)33-13-5-2-6-14-33)46-45(29-42)51-47(50-46)43-26-40(38-19-9-21-48-30-38)25-41(27-43)39-20-10-22-49-31-39;1-2-9-39-37(7-1)36(19-22-45-39)38-23-33(34-8-3-5-32-26-44-21-18-35(32)34)24-40-41(38)46-42(47-40)30-16-14-28(15-17-30)27-10-12-29(13-11-27)31-6-4-20-43-25-31/h1-35H;1-33H;1-31H;1-26H
InChIKeyAKMOLWUEUKUZCY-UHFFFAOYSA-N
XLogP50.94
TPSA168.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002646.19
LogP ≤ 550.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole with MolForge

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Related Compounds

1,3-Bis(2-(quinolin-6-yl)benzo[d]oxazol-5-yl)benzene
CID 86724828
5-(9,9-Dimethyl-9h-fluoren-2-yl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90256961
5-(4-(9,9-Dimethyl-9H-fluoren-3-yl)naphthalen-1-yl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257149
2-[3-[4-[2-[4-[3-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 157737893
2-[4-[3-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 158383395
2-[4-[3-[2-[3-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[4-[4-[2-[4-[4-[7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 158435449
2-[3-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[3-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4-methyl-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazole
CID 159770820
CID 160441883
CID 160441883
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzoxazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzoxazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzoxazol-3-ium
CID 160892993
CID 161574867
CID 161574867
CID 164951205
CID 164951205
3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole
CID 167702930

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole (CID 157143929) is 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole is c1ccc(-c2ccc(-c3nc4c(-c5cccc(-c6ccccc6)c5)cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4o3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)oc4c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)oc4c3)c2)cc1.c1cncc(-c2ccc(-c3ccc(-c4nc5c(-c6ccnc7ccccc67)cc(-c6cccc7cnccc67)cc5o4)cc3)cc2)c1.
What is the InChIKey of 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
The InChIKey is AKMOLWUEUKUZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO.C49H33NO.C47H31N3O.C42H26N4O/c1-3-14-36(15-4-1)38-26-28-39(29-27-38)55-57-54-48(42-19-13-18-40(32-42)37-16-5-2-6-17-37)33-43(35-53(54)58-55)41-30-31-47-46-22-9-12-25-51(46)56(52(47)34-41)49-23-10-7-20-44(49)45-21-8-11-24-50(45)56;1-5-15-34(16-6-1)38-23-13-25-40(29-38)43-32-46(41-26-14-24-39(30-41)35-17-7-2-8-18-35)48-47(33-43)51-49(50-48)42-27-28-44(36-19-9-3-10-20-36)45(31-42)37-21-11-4-12-22-37;1-3-11-32(12-4-1)34-15-7-17-36(23-34)42-28-44(37-18-8-16-35(24-37)33-13-5-2-6-14-33)46-45(29-42)51-47(50-46)43-26-40(38-19-9-21-48-30-38)25-41(27-43)39-20-10-22-49-31-39;1-2-9-39-37(7-1)36(19-22-45-39)38-23-33(34-8-3-5-32-26-44-21-18-35(32)34)24-40-41(38)46-42(47-40)30-16-14-28(15-17-30)27-10-12-29(13-11-27)31-6-4-20-43-25-31/h1-35H;1-33H;1-31H;1-26H.
What are the key properties of 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole has a molecular weight of 2646.19 g/mol, XLogP of 50.94, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 157143929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).