6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole

C182H116N10O4 — CID 157067422

IUPAC6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)c4nc(-c5ccc(-c6ccc(-c7cccnc7)cc6)cc5)oc4c3)cc2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3o2)cc1.c1ccc(-c2nc3c(-c4cccc(-c5cccnc5)c4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3o2)cc1.c1cncc(-c2ccc(-c3ccc(-c4nc5c(-c6ccc(-c7cccnc7)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)cc5o4)cc3)cc2)c1
InChIInChI=1S/C51H33N3O.C47H31N3O.2C42H26N2O/c1-2-10-46-39(6-1)7-3-11-47(46)40-22-18-38(19-23-40)45-30-48(41-24-16-37(17-25-41)44-9-5-29-53-33-44)50-49(31-45)55-51(54-50)42-26-20-35(21-27-42)34-12-14-36(15-13-34)43-8-4-28-52-32-43;1-2-6-32(7-3-1)33-12-16-38(17-13-33)43-28-44(39-22-18-37(19-23-39)42-9-5-27-49-31-42)46-45(29-43)51-47(50-46)40-24-20-35(21-25-40)34-10-14-36(15-11-34)41-8-4-26-48-30-41;1-2-10-27(11-3-1)42-44-41-38(30-13-8-12-28(22-30)31-14-9-21-43-26-31)24-32(25-40(41)45-42)29-19-20-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)23-29;1-2-9-29(10-3-1)42-44-41-38(28-18-16-27(17-19-28)31-11-8-22-43-26-31)24-32(25-40(41)45-42)30-20-21-37-35-14-5-4-12-33(35)34-13-6-7-15-36(34)39(37)23-30/h1-33H;1-31H;2*1-26H
InChIKeyACAQUHFPSWBZTD-UHFFFAOYSA-N
MW2507.00 g/mol
LogP48.43
Rot. Bonds22

About 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole

6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole (PubChem CID 157067422) has the molecular formula C182H116N10O4 and a molecular weight of 2507.00 g/mol. Its IUPAC name is 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole
PubChem CID157067422
Molecular FormulaC182H116N10O4
Molecular Weight2507.00 g/mol
Exact Mass2504.92
IUPAC Name6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)c4nc(-c5ccc(-c6ccc(-c7cccnc7)cc6)cc5)oc4c3)cc2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3o2)cc1.c1ccc(-c2nc3c(-c4cccc(-c5cccnc5)c4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3o2)cc1.c1cncc(-c2ccc(-c3ccc(-c4nc5c(-c6ccc(-c7cccnc7)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)cc5o4)cc3)cc2)c1
InChIInChI=1S/C51H33N3O.C47H31N3O.2C42H26N2O/c1-2-10-46-39(6-1)7-3-11-47(46)40-22-18-38(19-23-40)45-30-48(41-24-16-37(17-25-41)44-9-5-29-53-33-44)50-49(31-45)55-51(54-50)42-26-20-35(21-27-42)34-12-14-36(15-13-34)43-8-4-28-52-32-43;1-2-6-32(7-3-1)33-12-16-38(17-13-33)43-28-44(39-22-18-37(19-23-39)42-9-5-27-49-31-42)46-45(29-43)51-47(50-46)40-24-20-35(21-25-40)34-10-14-36(15-11-34)41-8-4-26-48-30-41;1-2-10-27(11-3-1)42-44-41-38(30-13-8-12-28(22-30)31-14-9-21-43-26-31)24-32(25-40(41)45-42)29-19-20-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)23-29;1-2-9-29(10-3-1)42-44-41-38(28-18-16-27(17-19-28)31-11-8-22-43-26-31)24-32(25-40(41)45-42)30-20-21-37-35-14-5-4-12-33(35)34-13-6-7-15-36(34)39(37)23-30/h1-33H;1-31H;2*1-26H
InChIKeyACAQUHFPSWBZTD-UHFFFAOYSA-N
XLogP48.43
TPSA181.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002507.00
LogP ≤ 548.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole?
The IUPAC name of 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole (CID 157067422) is 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)c4nc(-c5ccc(-c6ccc(-c7cccnc7)cc6)cc5)oc4c3)cc2)cc1.c1ccc(-c2nc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3o2)cc1.c1ccc(-c2nc3c(-c4cccc(-c5cccnc5)c4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3o2)cc1.c1cncc(-c2ccc(-c3ccc(-c4nc5c(-c6ccc(-c7cccnc7)cc6)cc(-c6ccc(-c7cccc8ccccc78)cc6)cc5o4)cc3)cc2)c1.
What is the InChIKey of 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole?
The InChIKey is ACAQUHFPSWBZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O.C47H31N3O.2C42H26N2O/c1-2-10-46-39(6-1)7-3-11-47(46)40-22-18-38(19-23-40)45-30-48(41-24-16-37(17-25-41)44-9-5-29-53-33-44)50-49(31-45)55-51(54-50)42-26-20-35(21-27-42)34-12-14-36(15-13-34)43-8-4-28-52-32-43;1-2-6-32(7-3-1)33-12-16-38(17-13-33)43-28-44(39-22-18-37(19-23-39)42-9-5-27-49-31-42)46-45(29-43)51-47(50-46)40-24-20-35(21-25-40)34-10-14-36(15-11-34)41-8-4-26-48-30-41;1-2-10-27(11-3-1)42-44-41-38(30-13-8-12-28(22-30)31-14-9-21-43-26-31)24-32(25-40(41)45-42)29-19-20-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)39(37)23-29;1-2-9-29(10-3-1)42-44-41-38(28-18-16-27(17-19-28)31-11-8-22-43-26-31)24-32(25-40(41)45-42)30-20-21-37-35-14-5-4-12-33(35)34-13-6-7-15-36(34)39(37)23-30/h1-33H;1-31H;2*1-26H.
What are the key properties of 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole?
6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole has a molecular weight of 2507.00 g/mol, XLogP of 48.43, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphthalen-1-ylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;6-(4-phenylphenyl)-4-(4-pyridin-3-ylphenyl)-2-[4-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-phenyl-4-(3-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole;2-phenyl-4-(4-pyridin-3-ylphenyl)-6-triphenylen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 157067422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).