3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole

C28H19F6NO2 — CID 122431327

IUPAC3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H19F6NO2/c1-36-19-8-11-25-22(14-19)23-15-20(37-2)9-12-26(23)35(25)24-10-7-18(28(32,33)34)13-21(24)16-3-5-17(6-4-16)27(29,30)31/h3-15H,1-2H3
InChIKeyXDXOYJOUXLQYHV-UHFFFAOYSA-N
MW515.45 g/mol
LogP8.51
Rot. Bonds4

About 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole

3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 122431327) has the molecular formula C28H19F6NO2 and a molecular weight of 515.45 g/mol. Its IUPAC name is 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID122431327
Molecular FormulaC28H19F6NO2
Molecular Weight515.45 g/mol
Exact Mass515.13
IUPAC Name3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H19F6NO2/c1-36-19-8-11-25-22(14-19)23-15-20(37-2)9-12-26(23)35(25)24-10-7-18(28(32,33)34)13-21(24)16-3-5-17(6-4-16)27(29,30)31/h3-15H,1-2H3
InChIKeyXDXOYJOUXLQYHV-UHFFFAOYSA-N
XLogP8.51
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.45
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole (CID 122431327) is 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is XDXOYJOUXLQYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F6NO2/c1-36-19-8-11-25-22(14-19)23-15-20(37-2)9-12-26(23)35(25)24-10-7-18(28(32,33)34)13-21(24)16-3-5-17(6-4-16)27(29,30)31/h3-15H,1-2H3.
What are the key properties of 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 515.45 g/mol, XLogP of 8.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-9-[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 122431327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).