(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene

C85H66ClF8N13O6 — CID 161474509

IUPAC(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene
SMILESCOc1c(/N=N/c2cccc(OCC(F)(F)C(F)(F)F)n2)c2ccccc2c2ccccc12.COc1c(/N=N/c2cccc(Oc3ccc(C(F)(F)F)cc3)n2)c2ccccc2c2ccccc12.COc1ccc2ccccc2c1/N=N/c1cc(C)cc(C)n1.COc1ccc2ccccc2c1/N=N/c1nc(C)nc(C)c1Cl
InChIInChI=1S/C27H18F3N3O2.C23H16F5N3O2.C18H17N3O.C17H15ClN4O/c1-34-26-22-10-5-3-8-20(22)19-7-2-4-9-21(19)25(26)33-32-23-11-6-12-24(31-23)35-18-15-13-17(14-16-18)27(28,29)30;1-32-21-17-10-5-3-8-15(17)14-7-2-4-9-16(14)20(21)31-30-18-11-6-12-19(29-18)33-13-22(24,25)23(26,27)28;1-12-10-13(2)19-17(11-12)20-21-18-15-7-5-4-6-14(15)8-9-16(18)22-3;1-10-15(18)17(20-11(2)19-10)22-21-16-13-7-5-4-6-12(13)8-9-14(16)23-3/h2-16H,1H3;2-12H,13H2,1H3;4-11H,1-3H3;4-9H,1-3H3/b33-32+;31-30+;21-20+;22-21+
InChIKeyWDNNFOXRSHNSOQ-JXSFFFHZSA-N
MW1552.98 g/mol
LogP26.61
Rot. Bonds17

About (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene

(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene (PubChem CID 161474509) has the molecular formula C85H66ClF8N13O6 and a molecular weight of 1552.98 g/mol. Its IUPAC name is (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene.

Molecular Properties

Compound Name(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene
PubChem CID161474509
Molecular FormulaC85H66ClF8N13O6
Molecular Weight1552.98 g/mol
Exact Mass1551.48
IUPAC Name(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene
SMILESCOc1c(/N=N/c2cccc(OCC(F)(F)C(F)(F)F)n2)c2ccccc2c2ccccc12.COc1c(/N=N/c2cccc(Oc3ccc(C(F)(F)F)cc3)n2)c2ccccc2c2ccccc12.COc1ccc2ccccc2c1/N=N/c1cc(C)cc(C)n1.COc1ccc2ccccc2c1/N=N/c1nc(C)nc(C)c1Cl
InChIInChI=1S/C27H18F3N3O2.C23H16F5N3O2.C18H17N3O.C17H15ClN4O/c1-34-26-22-10-5-3-8-20(22)19-7-2-4-9-21(19)25(26)33-32-23-11-6-12-24(31-23)35-18-15-13-17(14-16-18)27(28,29)30;1-32-21-17-10-5-3-8-15(17)14-7-2-4-9-16(14)20(21)31-30-18-11-6-12-19(29-18)33-13-22(24,25)23(26,27)28;1-12-10-13(2)19-17(11-12)20-21-18-15-7-5-4-6-14(15)8-9-16(18)22-3;1-10-15(18)17(20-11(2)19-10)22-21-16-13-7-5-4-6-12(13)8-9-14(16)23-3/h2-16H,1H3;2-12H,13H2,1H3;4-11H,1-3H3;4-9H,1-3H3/b33-32+;31-30+;21-20+;22-21+
InChIKeyWDNNFOXRSHNSOQ-JXSFFFHZSA-N
XLogP26.61
TPSA218.71 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.98
LogP ≤ 526.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;ZINC
CID 158270448
10-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);ZINC
CID 159413008
3-[2-(2-Methylnaphthalen-1-yl)-3-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]ethyl]phenyl]-10-[3-[2-[4-phenyl-6-[11-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]-2-pyridinyl]phenyl]phenyl]phenoxazine
CID 134431758
1-Methyl-10-phenylphenoxazine;2-methyl-10-phenylphenoxazine;2-(2-methylphenyl)-4-phenylquinazoline;2-(3-methylphenyl)-4-phenylquinazoline;2-(4-methylphenyl)-4-phenylquinazoline
CID 159337531
2-(8-Oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4,6-bis(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)naphthalen-1-yl]-4-phenylquinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-phenylquinazoline
CID 167545445
2-[4-[4-(8-Oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-4-phenylquinazoline;2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-(4-phenylphenyl)quinazoline;2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
CID 167554885

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene?
The IUPAC name of (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene (CID 161474509) is (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene.
What is the SMILES notation for (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene?
The canonical SMILES for (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene is COc1c(/N=N/c2cccc(OCC(F)(F)C(F)(F)F)n2)c2ccccc2c2ccccc12.COc1c(/N=N/c2cccc(Oc3ccc(C(F)(F)F)cc3)n2)c2ccccc2c2ccccc12.COc1ccc2ccccc2c1/N=N/c1cc(C)cc(C)n1.COc1ccc2ccccc2c1/N=N/c1nc(C)nc(C)c1Cl.
What is the InChIKey of (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene?
The InChIKey is WDNNFOXRSHNSOQ-JXSFFFHZSA-N. The full InChI is InChI=1S/C27H18F3N3O2.C23H16F5N3O2.C18H17N3O.C17H15ClN4O/c1-34-26-22-10-5-3-8-20(22)19-7-2-4-9-21(19)25(26)33-32-23-11-6-12-24(31-23)35-18-15-13-17(14-16-18)27(28,29)30;1-32-21-17-10-5-3-8-15(17)14-7-2-4-9-16(14)20(21)31-30-18-11-6-12-19(29-18)33-13-22(24,25)23(26,27)28;1-12-10-13(2)19-17(11-12)20-21-18-15-7-5-4-6-14(15)8-9-16(18)22-3;1-10-15(18)17(20-11(2)19-10)22-21-16-13-7-5-4-6-12(13)8-9-14(16)23-3/h2-16H,1H3;2-12H,13H2,1H3;4-11H,1-3H3;4-9H,1-3H3/b33-32+;31-30+;21-20+;22-21+.
What are the key properties of (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene?
(5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene has a molecular weight of 1552.98 g/mol, XLogP of 26.61, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,6-dimethylpyrimidin-4-yl)-(2-methoxynaphthalen-1-yl)diazene;(4,6-dimethyl-2-pyridinyl)-(2-methoxynaphthalen-1-yl)diazene;(10-methoxyphenanthren-9-yl)-[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]diazene;(10-methoxyphenanthren-9-yl)-[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazene is sourced from PubChem (CID 161474509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).