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

C40H26F3N5O2 — CID 157290948

IUPAC2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole
SMILESCc1cccnc1-c1cccc(Oc2ccc3c4ccc(Oc5cccc(-c6ncccc6C(F)(F)F)c5)cc4n(-c4ncccn4)c3c2)c1
InChIInChI=1S/C40H26F3N5O2/c1-25-7-4-17-44-37(25)26-8-2-10-28(21-26)49-30-13-15-32-33-16-14-31(24-36(33)48(35(32)23-30)39-46-19-6-20-47-39)50-29-11-3-9-27(22-29)38-34(40(41,42)43)12-5-18-45-38/h2-24H,1H3
InChIKeyBNMZWPDHAPPMEY-UHFFFAOYSA-N
MW665.68 g/mol
LogP10.61
Rot. Bonds7

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

2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole (PubChem CID 157290948) has the molecular formula C40H26F3N5O2 and a molecular weight of 665.68 g/mol. Its IUPAC name is 2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole.

Molecular Properties

Compound Name2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole
PubChem CID157290948
Molecular FormulaC40H26F3N5O2
Molecular Weight665.68 g/mol
Exact Mass665.20
IUPAC Name2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole
SMILESCc1cccnc1-c1cccc(Oc2ccc3c4ccc(Oc5cccc(-c6ncccc6C(F)(F)F)c5)cc4n(-c4ncccn4)c3c2)c1
InChIInChI=1S/C40H26F3N5O2/c1-25-7-4-17-44-37(25)26-8-2-10-28(21-26)49-30-13-15-32-33-16-14-31(24-36(33)48(35(32)23-30)39-46-19-6-20-47-39)50-29-11-3-9-27(22-29)38-34(40(41,42)43)12-5-18-45-38/h2-24H,1H3
InChIKeyBNMZWPDHAPPMEY-UHFFFAOYSA-N
XLogP10.61
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.68
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole
CID 158786352
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-2-(3-pyridin-2-ylphenoxy)carbazole
CID 177287913
4-[3-(4-methyl-3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 25101685
2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]carbazole
CID 160821380
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703
9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole
CID 158262065
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyrimidin-2-ylphenoxy]-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
CID 157179162
9-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050331
3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-[2-(2-phenyl-3-pyridinyl)-7-(3-phenyl-4-pyridinyl)carbazol-9-yl]benzonitrile
CID 161279669

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole?
The IUPAC name of 2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole (CID 157290948) is 2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole.
What is the SMILES notation for 2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole?
The canonical SMILES for 2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole is Cc1cccnc1-c1cccc(Oc2ccc3c4ccc(Oc5cccc(-c6ncccc6C(F)(F)F)c5)cc4n(-c4ncccn4)c3c2)c1.
What is the InChIKey of 2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole?
The InChIKey is BNMZWPDHAPPMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F3N5O2/c1-25-7-4-17-44-37(25)26-8-2-10-28(21-26)49-30-13-15-32-33-16-14-31(24-36(33)48(35(32)23-30)39-46-19-6-20-47-39)50-29-11-3-9-27(22-29)38-34(40(41,42)43)12-5-18-45-38/h2-24H,1H3.
What are the key properties of 2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole?
2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole has a molecular weight of 665.68 g/mol, XLogP of 10.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-2-pyridinyl)phenoxy]-9-pyrimidin-2-yl-7-[3-[3-(trifluoromethyl)-2-pyridinyl]phenoxy]carbazole is sourced from PubChem (CID 157290948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).