2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole

C40H26F3N5O4 — CID 158786352

IUPAC2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole
SMILESCc1cccc(Oc2cccc(Oc3ccc4c5ccc(Oc6cccc(Oc7cccc(C(F)(F)F)n7)c6)cc5n(-c5ncccn5)c4c3)c2)n1
InChIInChI=1S/C40H26F3N5O4/c1-25-7-2-13-37(46-25)51-28-10-3-8-26(21-28)49-30-15-17-32-33-18-16-31(24-35(33)48(34(32)23-30)39-44-19-6-20-45-39)50-27-9-4-11-29(22-27)52-38-14-5-12-36(47-38)40(41,42)43/h2-24H,1H3
InChIKeyCBYJKNPEZJULDK-UHFFFAOYSA-N
MW697.67 g/mol
LogP10.86
Rot. Bonds9

About 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole

2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole (PubChem CID 158786352) has the molecular formula C40H26F3N5O4 and a molecular weight of 697.67 g/mol. Its IUPAC name is 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole.

Molecular Properties

Compound Name2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole
PubChem CID158786352
Molecular FormulaC40H26F3N5O4
Molecular Weight697.67 g/mol
Exact Mass697.19
IUPAC Name2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole
SMILESCc1cccc(Oc2cccc(Oc3ccc4c5ccc(Oc6cccc(Oc7cccc(C(F)(F)F)n7)c6)cc5n(-c5ncccn5)c4c3)c2)n1
InChIInChI=1S/C40H26F3N5O4/c1-25-7-2-13-37(46-25)51-28-10-3-8-26(21-28)49-30-15-17-32-33-18-16-31(24-35(33)48(34(32)23-30)39-44-19-6-20-45-39)50-27-9-4-11-29(22-27)52-38-14-5-12-36(47-38)40(41,42)43/h2-24H,1H3
InChIKeyCBYJKNPEZJULDK-UHFFFAOYSA-N
XLogP10.86
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.67
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole
CID 157290948
9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole
CID 158262065
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
3-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 107680827
2,7-bis[methyl-(3-pyridin-2-yloxyphenyl)phosphoryl]-9-pyrimidin-2-ylcarbazole
CID 157231974
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
ethane;2-methyl-6-(trifluoromethyl)pyridine
CID 144746626
pentafluoro-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-λ6-sulfane
CID 146306916
2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]carbazole
CID 160821380
2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 63181050
15-methyl-9-[3-[(4-methyl-2-pyridinyl)oxy]phenoxy]-2,3,4,5,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 153411517

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole?
The IUPAC name of 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole (CID 158786352) is 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole.
What is the SMILES notation for 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole?
The canonical SMILES for 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole is Cc1cccc(Oc2cccc(Oc3ccc4c5ccc(Oc6cccc(Oc7cccc(C(F)(F)F)n7)c6)cc5n(-c5ncccn5)c4c3)c2)n1.
What is the InChIKey of 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole?
The InChIKey is CBYJKNPEZJULDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F3N5O4/c1-25-7-2-13-37(46-25)51-28-10-3-8-26(21-28)49-30-15-17-32-33-18-16-31(24-35(33)48(34(32)23-30)39-44-19-6-20-45-39)50-27-9-4-11-29(22-27)52-38-14-5-12-36(47-38)40(41,42)43/h2-24H,1H3.
What are the key properties of 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole?
2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole has a molecular weight of 697.67 g/mol, XLogP of 10.86, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole is sourced from PubChem (CID 158786352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).