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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Related Compounds

4-(3-methoxy-6-methylcarbazol-9-yl)-3-(trifluoromethyl)benzonitrile
CID 149290836
9-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[2-(3,6-dimethylcarbazol-9-yl)-4-methylphenyl]phenyl]-3,6-dimethylcarbazole
CID 163990430
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 138499140
4-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyanophenyl]-2-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 160559431
3,6-dimethoxy-9-(2-methylphenyl)carbazole
CID 132915560
2,6-bis(3,6-dimethylcarbazol-9-yl)-3-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile
CID 158379892
2-methoxy-8-(trifluoromethyl)dibenzothiophene
CID 46873336
3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,6-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 137368865
1-[4-(4-methoxy-2-methylphenyl)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrrole
CID 141134009
9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole
CID 170444614
2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402136
4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499304

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).