9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole

C22H15F6NO2 — CID 122431292

IUPAC9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C22H15F6NO2/c1-30-13-4-7-18-15(10-13)16-11-14(31-2)5-8-19(16)29(18)20-6-3-12(21(23,24)25)9-17(20)22(26,27)28/h3-11H,1-2H3
InChIKeyHGELFWASHDONRX-UHFFFAOYSA-N
MW439.36 g/mol
LogP6.84
Rot. Bonds3

About 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole

9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole (PubChem CID 122431292) has the molecular formula C22H15F6NO2 and a molecular weight of 439.36 g/mol. Its IUPAC name is 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole.

Molecular Properties

Compound Name9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
PubChem CID122431292
Molecular FormulaC22H15F6NO2
Molecular Weight439.36 g/mol
Exact Mass439.10
IUPAC Name9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C22H15F6NO2/c1-30-13-4-7-18-15(10-13)16-11-14(31-2)5-8-19(16)29(18)20-6-3-12(21(23,24)25)9-17(20)22(26,27)28/h3-11H,1-2H3
InChIKeyHGELFWASHDONRX-UHFFFAOYSA-N
XLogP6.84
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole (CID 122431292) is 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
The InChIKey is HGELFWASHDONRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6NO2/c1-30-13-4-7-18-15(10-13)16-11-14(31-2)5-8-19(16)29(18)20-6-3-12(21(23,24)25)9-17(20)22(26,27)28/h3-11H,1-2H3.
What are the key properties of 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole?
9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole has a molecular weight of 439.36 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 122431292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).