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

C22H15F6NO — CID 159357605

IUPAC9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C22H15F6NO/c1-12-3-6-18-15(9-12)16-11-14(30-2)5-8-19(16)29(18)20-7-4-13(21(23,24)25)10-17(20)22(26,27)28/h3-11H,1-2H3
InChIKeyLICWAQGTBFEXSA-UHFFFAOYSA-N
MW423.36 g/mol
LogP7.14
Rot. Bonds2

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

9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole (PubChem CID 159357605) has the molecular formula C22H15F6NO and a molecular weight of 423.36 g/mol. Its IUPAC name is 9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole.

Molecular Properties

Compound Name9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole
PubChem CID159357605
Molecular FormulaC22H15F6NO
Molecular Weight423.36 g/mol
Exact Mass423.11
IUPAC Name9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C22H15F6NO/c1-12-3-6-18-15(9-12)16-11-14(30-2)5-8-19(16)29(18)20-7-4-13(21(23,24)25)10-17(20)22(26,27)28/h3-11H,1-2H3
InChIKeyLICWAQGTBFEXSA-UHFFFAOYSA-N
XLogP7.14
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole?
The IUPAC name of 9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole (CID 159357605) is 9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole.
What is the SMILES notation for 9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole?
The canonical SMILES for 9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole is COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole?
The InChIKey is LICWAQGTBFEXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6NO/c1-12-3-6-18-15(9-12)16-11-14(30-2)5-8-19(16)29(18)20-7-4-13(21(23,24)25)10-17(20)22(26,27)28/h3-11H,1-2H3.
What are the key properties of 9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole?
9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole has a molecular weight of 423.36 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(trifluoromethyl)phenyl]-3-methoxy-6-methylcarbazole is sourced from PubChem (CID 159357605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).