4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole

C191H123N15O5 — CID 162042077

IUPAC4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5nc(-c6ccccc6)oc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4nc(-c5ccccc5)oc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/4C39H25N3O.C35H23N3O/c1-4-13-26(14-5-1)34-25-35(41-38(40-34)27-15-6-2-7-16-27)32-24-23-31(29-19-10-11-20-30(29)32)33-21-12-22-36-37(33)42-39(43-36)28-17-8-3-9-18-28;1-4-13-26(14-5-1)35-25-36(41-38(40-35)27-15-6-2-7-16-27)32-24-23-31(29-19-10-11-20-30(29)32)33-21-12-22-34-37(33)43-39(42-34)28-17-8-3-9-18-28;1-4-12-26(13-5-1)34-25-35(41-38(40-34)27-14-6-2-7-15-27)33-22-21-30(31-18-10-11-19-32(31)33)29-20-23-37-36(24-29)42-39(43-37)28-16-8-3-9-17-28;1-4-12-26(13-5-1)35-25-36(41-38(40-35)27-14-6-2-7-15-27)33-22-21-30(31-18-10-11-19-32(31)33)29-20-23-34-37(24-29)43-39(42-34)28-16-8-3-9-17-28;1-4-13-24(14-5-1)31-23-32(37-34(36-31)25-15-6-2-7-16-25)28-20-11-10-19-27(28)29-21-12-22-30-33(29)39-35(38-30)26-17-8-3-9-18-26/h4*1-25H;1-23H
InChIKeyYXKJEAMVSGVLNV-UHFFFAOYSA-N
MW2708.18 g/mol
LogP49.38
Rot. Bonds25

About 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole

4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 162042077) has the molecular formula C191H123N15O5 and a molecular weight of 2708.18 g/mol. Its IUPAC name is 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole
PubChem CID162042077
Molecular FormulaC191H123N15O5
Molecular Weight2708.18 g/mol
Exact Mass2705.98
IUPAC Name4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5nc(-c6ccccc6)oc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4nc(-c5ccccc5)oc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/4C39H25N3O.C35H23N3O/c1-4-13-26(14-5-1)34-25-35(41-38(40-34)27-15-6-2-7-16-27)32-24-23-31(29-19-10-11-20-30(29)32)33-21-12-22-36-37(33)42-39(43-36)28-17-8-3-9-18-28;1-4-13-26(14-5-1)35-25-36(41-38(40-35)27-15-6-2-7-16-27)32-24-23-31(29-19-10-11-20-30(29)32)33-21-12-22-34-37(33)43-39(42-34)28-17-8-3-9-18-28;1-4-12-26(13-5-1)34-25-35(41-38(40-34)27-14-6-2-7-15-27)33-22-21-30(31-18-10-11-19-32(31)33)29-20-23-37-36(24-29)42-39(43-37)28-16-8-3-9-17-28;1-4-12-26(13-5-1)35-25-36(41-38(40-35)27-14-6-2-7-15-27)33-22-21-30(31-18-10-11-19-32(31)33)29-20-23-34-37(24-29)43-39(42-34)28-16-8-3-9-17-28;1-4-13-24(14-5-1)31-23-32(37-34(36-31)25-15-6-2-7-16-25)28-20-11-10-19-27(28)29-21-12-22-30-33(29)39-35(38-30)26-17-8-3-9-18-26/h4*1-25H;1-23H
InChIKeyYXKJEAMVSGVLNV-UHFFFAOYSA-N
XLogP49.38
TPSA259.05 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002708.18
LogP ≤ 549.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole with MolForge

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Related Compounds

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-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 146719610
6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
CID 147790794
5-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332746
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 153017614
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
6-[6-[4-dibenzofuran-4-yl-6-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole;5-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;6-[4-[4-(4-dibenzofuran-2-ylphenyl)-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 159598829
2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 147695392
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 149079954

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole (CID 162042077) is 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)oc5c4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5nc(-c6ccccc6)oc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5oc(-c6ccccc6)nc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4nc(-c5ccccc5)oc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is YXKJEAMVSGVLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C39H25N3O.C35H23N3O/c1-4-13-26(14-5-1)34-25-35(41-38(40-34)27-15-6-2-7-16-27)32-24-23-31(29-19-10-11-20-30(29)32)33-21-12-22-36-37(33)42-39(43-36)28-17-8-3-9-18-28;1-4-13-26(14-5-1)35-25-36(41-38(40-35)27-15-6-2-7-16-27)32-24-23-31(29-19-10-11-20-30(29)32)33-21-12-22-34-37(33)43-39(42-34)28-17-8-3-9-18-28;1-4-12-26(13-5-1)34-25-35(41-38(40-34)27-14-6-2-7-15-27)33-22-21-30(31-18-10-11-19-32(31)33)29-20-23-37-36(24-29)42-39(43-37)28-16-8-3-9-17-28;1-4-12-26(13-5-1)35-25-36(41-38(40-35)27-14-6-2-7-15-27)33-22-21-30(31-18-10-11-19-32(31)33)29-20-23-34-37(24-29)43-39(42-34)28-16-8-3-9-17-28;1-4-13-24(14-5-1)31-23-32(37-34(36-31)25-15-6-2-7-16-25)28-20-11-10-19-27(28)29-21-12-22-30-33(29)39-35(38-30)26-17-8-3-9-18-26/h4*1-25H;1-23H.
What are the key properties of 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole?
4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 2708.18 g/mol, XLogP of 49.38, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;6-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-2-phenyl-1,3-benzoxazole;7-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 162042077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).