2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole

C160H108N12O4 — CID 158147342

IUPAC2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc2o1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6oc(-c7ccccc7)nc6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6oc(-c7ccccc7)nc6c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-c4ccc5oc(-c6ccccc6)nc5c4)n3)cc2)cc1
InChIInChI=1S/3C41H27N3O.C37H27N3O/c1-4-12-28(13-5-1)29-20-22-31(23-21-29)40-42-36(30-14-6-2-7-15-30)27-37(43-40)35-19-11-10-18-34(35)33-24-25-39-38(26-33)44-41(45-39)32-16-8-3-9-17-32;1-4-11-28(12-5-1)29-19-21-31(22-20-29)40-42-36(30-13-6-2-7-14-30)27-37(43-40)35-18-10-17-33(25-35)34-23-24-39-38(26-34)44-41(45-39)32-15-8-3-9-16-32;1-4-10-28(11-5-1)29-18-22-33(23-19-29)40-42-36(31-12-6-2-7-13-31)27-37(43-40)32-20-16-30(17-21-32)35-24-25-39-38(26-35)44-41(45-39)34-14-8-3-9-15-34;1-2-36-38-34-23-31(21-22-35(34)41-36)27-13-17-29(18-14-27)33-24-32(28-11-7-4-8-12-28)39-37(40-33)30-19-15-26(16-20-30)25-9-5-3-6-10-25/h3*1-27H;3-24H,2H2,1H3
InChIKeyFURHDTJIGSYFSP-UHFFFAOYSA-N
MW2262.70 g/mol
LogP41.37
Rot. Bonds24

About 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole

2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole (PubChem CID 158147342) has the molecular formula C160H108N12O4 and a molecular weight of 2262.70 g/mol. Its IUPAC name is 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
PubChem CID158147342
Molecular FormulaC160H108N12O4
Molecular Weight2262.70 g/mol
Exact Mass2260.86
IUPAC Name2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
SMILESCCc1nc2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc2o1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6oc(-c7ccccc7)nc6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6oc(-c7ccccc7)nc6c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-c4ccc5oc(-c6ccccc6)nc5c4)n3)cc2)cc1
InChIInChI=1S/3C41H27N3O.C37H27N3O/c1-4-12-28(13-5-1)29-20-22-31(23-21-29)40-42-36(30-14-6-2-7-15-30)27-37(43-40)35-19-11-10-18-34(35)33-24-25-39-38(26-33)44-41(45-39)32-16-8-3-9-17-32;1-4-11-28(12-5-1)29-19-21-31(22-20-29)40-42-36(30-13-6-2-7-14-30)27-37(43-40)35-18-10-17-33(25-35)34-23-24-39-38(26-34)44-41(45-39)32-15-8-3-9-16-32;1-4-10-28(11-5-1)29-18-22-33(23-19-29)40-42-36(31-12-6-2-7-13-31)27-37(43-40)32-20-16-30(17-21-32)35-24-25-39-38(26-35)44-41(45-39)34-14-8-3-9-15-34;1-2-36-38-34-23-31(21-22-35(34)41-36)27-13-17-29(18-14-27)33-24-32(28-11-7-4-8-12-28)39-37(40-33)30-19-15-26(16-20-30)25-9-5-3-6-10-25/h3*1-27H;3-24H,2H2,1H3
InChIKeyFURHDTJIGSYFSP-UHFFFAOYSA-N
XLogP41.37
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002262.70
LogP ≤ 541.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole with MolForge

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Related Compounds

2-ethyl-5-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole
CID 158121328
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
2-phenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-1,3-benzoxazole
CID 153310290
2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 147571210
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
2-phenyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 146719610
5-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332746
2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 147695392
6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
CID 147790794
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole (CID 158147342) is 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole is CCc1nc2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)ccc2o1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6oc(-c7ccccc7)nc6c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6oc(-c7ccccc7)nc6c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-c4ccc5oc(-c6ccccc6)nc5c4)n3)cc2)cc1.
What is the InChIKey of 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole?
The InChIKey is FURHDTJIGSYFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C41H27N3O.C37H27N3O/c1-4-12-28(13-5-1)29-20-22-31(23-21-29)40-42-36(30-14-6-2-7-15-30)27-37(43-40)35-19-11-10-18-34(35)33-24-25-39-38(26-33)44-41(45-39)32-16-8-3-9-17-32;1-4-11-28(12-5-1)29-19-21-31(22-20-29)40-42-36(30-13-6-2-7-14-30)27-37(43-40)35-18-10-17-33(25-35)34-23-24-39-38(26-34)44-41(45-39)32-15-8-3-9-16-32;1-4-10-28(11-5-1)29-18-22-33(23-19-29)40-42-36(31-12-6-2-7-13-31)27-37(43-40)32-20-16-30(17-21-32)35-24-25-39-38(26-35)44-41(45-39)34-14-8-3-9-15-34;1-2-36-38-34-23-31(21-22-35(34)41-36)27-13-17-29(18-14-27)33-24-32(28-11-7-4-8-12-28)39-37(40-33)30-19-15-26(16-20-30)25-9-5-3-6-10-25/h3*1-27H;3-24H,2H2,1H3.
What are the key properties of 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole?
2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole has a molecular weight of 2262.70 g/mol, XLogP of 41.37, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 158147342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).