bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole)

C205H138N16O16 — CID 159988898

IUPACbis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole)
SMILESCc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)nc2c1.Cc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5o4)c4ccccc34)oc12.Cc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5o4)c4ccccc34)oc12.Cc1cccc2nc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)oc12
InChIInChI=1S/5C26H18N2O2.3C25H16N2O2/c2*1-15-7-5-11-21-23(15)29-25(27-21)19-13-14-20(18-10-4-3-9-17(18)19)26-28-22-12-6-8-16(2)24(22)30-26;3*1-15-7-11-23-21(13-15)27-25(29-23)19-9-10-20(18-6-4-3-5-17(18)19)26-28-22-14-16(2)8-12-24(22)30-26;1-15-7-6-11-21-23(15)29-25(27-21)19-14-13-18(16-8-2-3-9-17(16)19)24-26-20-10-4-5-12-22(20)28-24;2*1-15-10-13-23-21(14-15)27-25(29-23)19-12-11-18(16-6-2-3-7-17(16)19)24-26-20-8-4-5-9-22(20)28-24/h5*3-14H,1-2H3;3*2-14H,1H3
InChIKeyOGRPHVKLNCWRCA-UHFFFAOYSA-N
MW3081.45 g/mol
LogP55.66
Rot. Bonds16

About bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole)

bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole) (PubChem CID 159988898) has the molecular formula C205H138N16O16 and a molecular weight of 3081.45 g/mol. Its IUPAC name is bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole).

Molecular Properties

Compound Namebis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole)
PubChem CID159988898
Molecular FormulaC205H138N16O16
Molecular Weight3081.45 g/mol
Exact Mass3079.05
IUPAC Namebis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole)
SMILESCc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)nc2c1.Cc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5o4)c4ccccc34)oc12.Cc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5o4)c4ccccc34)oc12.Cc1cccc2nc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)oc12
InChIInChI=1S/5C26H18N2O2.3C25H16N2O2/c2*1-15-7-5-11-21-23(15)29-25(27-21)19-13-14-20(18-10-4-3-9-17(18)19)26-28-22-12-6-8-16(2)24(22)30-26;3*1-15-7-11-23-21(13-15)27-25(29-23)19-9-10-20(18-6-4-3-5-17(18)19)26-28-22-14-16(2)8-12-24(22)30-26;1-15-7-6-11-21-23(15)29-25(27-21)19-14-13-18(16-8-2-3-9-17(16)19)24-26-20-10-4-5-12-22(20)28-24;2*1-15-10-13-23-21(14-15)27-25(29-23)19-12-11-18(16-6-2-3-7-17(16)19)24-26-20-8-4-5-9-22(20)28-24/h5*3-14H,1-2H3;3*2-14H,1H3
InChIKeyOGRPHVKLNCWRCA-UHFFFAOYSA-N
XLogP55.66
TPSA416.48 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003081.45
LogP ≤ 555.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole) with MolForge

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Related Compounds

Fluorescent brightener 367
CID 78769
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4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene
CID 6436901
2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole
CID 111052
2-(4-(2-((1,1'-Biphenyl)-4-yl)vinyl)phenyl)-5,7-dimethylbenzoxazole
CID 6441624
1,2-Bis(4-(5-methylbenzo[d]oxazol-2-yl)phenyl)ethene
CID 102253
(E)-1,2-bis(4-(5-(2,4,4-trimethylpentan-2-yl)benzo[d]oxazol-2-yl)phenyl)ethene
CID 107594
2,2'-(Vinylenedi-p-phenylene)bis[5-tert-butylbenzoxazole]
CID 6436902
Benzoxazole, 2,2a(2)-(1,2-ethenediyldi-4,1-phenylene)bis[5-ethyl-
CID 78410911
5-Benzoxazolecarboxylic acid, 2,2'-(1,4-naphthalenediyl)bis-, 5,5'-dimethyl ester
CID 90244
5-Benzoxazoleethanol, beta-methyl-2-phenyl-, hydrate (4:1)
CID 46400
5-tert-Butyl-2-(2-(4-(2-(5-tert-butylbenzoxazol-2-yl)vinyl)phenyl)vinyl)benzoxazole
CID 12595419

Frequently Asked Questions

What is the IUPAC name of bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole)?
The IUPAC name of bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole) (CID 159988898) is bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole).
What is the SMILES notation for bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole)?
The canonical SMILES for bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole) is Cc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5cc(C)ccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)nc2c1.Cc1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)nc2c1.Cc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5o4)c4ccccc34)oc12.Cc1cccc2nc(-c3ccc(-c4nc5cccc(C)c5o4)c4ccccc34)oc12.Cc1cccc2nc(-c3ccc(-c4nc5ccccc5o4)c4ccccc34)oc12.
What is the InChIKey of bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole)?
The InChIKey is OGRPHVKLNCWRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/5C26H18N2O2.3C25H16N2O2/c2*1-15-7-5-11-21-23(15)29-25(27-21)19-13-14-20(18-10-4-3-9-17(18)19)26-28-22-12-6-8-16(2)24(22)30-26;3*1-15-7-11-23-21(13-15)27-25(29-23)19-9-10-20(18-6-4-3-5-17(18)19)26-28-22-14-16(2)8-12-24(22)30-26;1-15-7-6-11-21-23(15)29-25(27-21)19-14-13-18(16-8-2-3-9-17(16)19)24-26-20-10-4-5-12-22(20)28-24;2*1-15-10-13-23-21(14-15)27-25(29-23)19-12-11-18(16-6-2-3-7-17(16)19)24-26-20-8-4-5-9-22(20)28-24/h5*3-14H,1-2H3;3*2-14H,1H3.
What are the key properties of bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole)?
bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole) has a molecular weight of 3081.45 g/mol, XLogP of 55.66, 16 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-methyl-1,3-benzoxazole);2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-7-methyl-1,3-benzoxazole;tris(5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole);bis(7-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole) is sourced from PubChem (CID 159988898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).