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

C203H136N8O4 — CID 158589274

IUPAC4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole
SMILESCCc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(CC)cc5)c4)c4nc(-c5ccc(-c6cccnc6)cc5)oc4c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4nc(-c5cccnc5)oc4c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)c4nc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)oc4c3)c2)cc1.c1cncc(-c2cccc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc(-c5ccc(-c6cccc7ccccc67)cc5)nc34)c2)c1
InChIInChI=1S/C61H38N2O.C48H30N2O.C48H32N2O.C46H36N2O/c1-2-13-39(14-3-1)42-15-10-17-44(33-42)48-35-53(46-18-11-16-43(34-46)47-19-12-32-62-38-47)59-58(37-48)64-60(63-59)41-28-26-40(27-29-41)45-30-31-52-51-22-6-9-25-56(51)61(57(52)36-45)54-23-7-4-20-49(54)50-21-5-8-24-55(50)61;1-3-16-39-31(10-1)12-8-20-40(39)32-21-23-33(24-22-32)48-50-47-45(35-14-7-13-34(26-35)37-15-9-25-49-30-37)28-38(29-46(47)51-48)44-27-36-11-2-4-17-41(36)42-18-5-6-19-43(42)44;1-5-14-33(15-6-1)38-24-39(34-16-7-2-8-17-34)27-42(26-38)43-30-45(47-46(31-43)51-48(50-47)37-22-13-23-49-32-37)44-28-40(35-18-9-3-10-19-35)25-41(29-44)36-20-11-4-12-21-36;1-3-31-13-17-33(18-14-31)37-8-5-10-39(26-37)42-28-43(40-11-6-9-38(27-40)34-19-15-32(4-2)16-20-34)45-44(29-42)49-46(48-45)36-23-21-35(22-24-36)41-12-7-25-47-30-41/h1-38H;1-30H;1-32H;5-30H,3-4H2,1-2H3
InChIKeyHUFXVQSXBRRDAW-UHFFFAOYSA-N
MW2751.37 g/mol
LogP53.83
Rot. Bonds26

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

4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole (PubChem CID 158589274) has the molecular formula C203H136N8O4 and a molecular weight of 2751.37 g/mol. Its IUPAC name is 4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole
PubChem CID158589274
Molecular FormulaC203H136N8O4
Molecular Weight2751.37 g/mol
Exact Mass2749.07
IUPAC Name4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole
SMILESCCc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(CC)cc5)c4)c4nc(-c5ccc(-c6cccnc6)cc5)oc4c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4nc(-c5cccnc5)oc4c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)c4nc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)oc4c3)c2)cc1.c1cncc(-c2cccc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc(-c5ccc(-c6cccc7ccccc67)cc5)nc34)c2)c1
InChIInChI=1S/C61H38N2O.C48H30N2O.C48H32N2O.C46H36N2O/c1-2-13-39(14-3-1)42-15-10-17-44(33-42)48-35-53(46-18-11-16-43(34-46)47-19-12-32-62-38-47)59-58(37-48)64-60(63-59)41-28-26-40(27-29-41)45-30-31-52-51-22-6-9-25-56(51)61(57(52)36-45)54-23-7-4-20-49(54)50-21-5-8-24-55(50)61;1-3-16-39-31(10-1)12-8-20-40(39)32-21-23-33(24-22-32)48-50-47-45(35-14-7-13-34(26-35)37-15-9-25-49-30-37)28-38(29-46(47)51-48)44-27-36-11-2-4-17-41(36)42-18-5-6-19-43(42)44;1-5-14-33(15-6-1)38-24-39(34-16-7-2-8-17-34)27-42(26-38)43-30-45(47-46(31-43)51-48(50-47)37-22-13-23-49-32-37)44-28-40(35-18-9-3-10-19-35)25-41(29-44)36-20-11-4-12-21-36;1-3-31-13-17-33(18-14-31)37-8-5-10-39(26-37)42-28-43(40-11-6-9-38(27-40)34-19-15-32(4-2)16-20-34)45-44(29-42)49-46(48-45)36-23-21-35(22-24-36)41-12-7-25-47-30-41/h1-38H;1-30H;1-32H;5-30H,3-4H2,1-2H3
InChIKeyHUFXVQSXBRRDAW-UHFFFAOYSA-N
XLogP53.83
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002751.37
LogP ≤ 553.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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

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Related Compounds

2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 137473260
4,6-bis(4-naphthalen-1-ylphenyl)-2-[3-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 137473226
2-(4-naphthalen-2-ylphenyl)-6-phenanthren-9-yl-4-(4-pyridin-3-ylphenyl)-1,3-benzoxazole
CID 137473254
2-(4-pyridin-3-ylphenyl)-4,6-di(triphenylen-2-yl)-1,3-benzoxazole
CID 137473248
6-(4-phenanthren-9-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 137473475
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole
CID 153310215
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-(3-naphthalen-1-ylphenyl)-4-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477588
4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-phenylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 160776229
3-[6-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]benzonitrile
CID 155059697
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-2-yl)naphthalen-1-yl]phenyl]-1,3-benzoxazole
CID 164803864

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole (CID 158589274) is 4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole is CCc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(CC)cc5)c4)c4nc(-c5ccc(-c6cccnc6)cc5)oc4c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4nc(-c5cccnc5)oc4c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)c4nc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)oc4c3)c2)cc1.c1cncc(-c2cccc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc(-c5ccc(-c6cccc7ccccc67)cc5)nc34)c2)c1.
What is the InChIKey of 4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole?
The InChIKey is HUFXVQSXBRRDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O.C48H30N2O.C48H32N2O.C46H36N2O/c1-2-13-39(14-3-1)42-15-10-17-44(33-42)48-35-53(46-18-11-16-43(34-46)47-19-12-32-62-38-47)59-58(37-48)64-60(63-59)41-28-26-40(27-29-41)45-30-31-52-51-22-6-9-25-56(51)61(57(52)36-45)54-23-7-4-20-49(54)50-21-5-8-24-55(50)61;1-3-16-39-31(10-1)12-8-20-40(39)32-21-23-33(24-22-32)48-50-47-45(35-14-7-13-34(26-35)37-15-9-25-49-30-37)28-38(29-46(47)51-48)44-27-36-11-2-4-17-41(36)42-18-5-6-19-43(42)44;1-5-14-33(15-6-1)38-24-39(34-16-7-2-8-17-34)27-42(26-38)43-30-45(47-46(31-43)51-48(50-47)37-22-13-23-49-32-37)44-28-40(35-18-9-3-10-19-35)25-41(29-44)36-20-11-4-12-21-36;1-3-31-13-17-33(18-14-31)37-8-5-10-39(26-37)42-28-43(40-11-6-9-38(27-40)34-19-15-32(4-2)16-20-34)45-44(29-42)49-46(48-45)36-23-21-35(22-24-36)41-12-7-25-47-30-41/h1-38H;1-30H;1-32H;5-30H,3-4H2,1-2H3.
What are the key properties of 4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole?
4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole has a molecular weight of 2751.37 g/mol, XLogP of 53.83, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 158589274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).