9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole

C36H27F6N — CID 170283564

IUPAC9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
SMILESCCc1ccccc1-n1c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2c2cc(-c3cc(C)cc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C36H27F6N/c1-4-23-7-5-6-8-32(23)43-33-11-9-24(26-13-21(2)15-28(17-26)35(37,38)39)19-30(33)31-20-25(10-12-34(31)43)27-14-22(3)16-29(18-27)36(40,41)42/h5-20H,4H2,1-3H3
InChIKeyZVSLJVPIIVXTBC-UHFFFAOYSA-N
MW587.61 g/mol
LogP11.33
Rot. Bonds4

About 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole

9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 170283564) has the molecular formula C36H27F6N and a molecular weight of 587.61 g/mol. Its IUPAC name is 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
PubChem CID170283564
Molecular FormulaC36H27F6N
Molecular Weight587.61 g/mol
Exact Mass587.20
IUPAC Name9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
SMILESCCc1ccccc1-n1c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2c2cc(-c3cc(C)cc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C36H27F6N/c1-4-23-7-5-6-8-32(23)43-33-11-9-24(26-13-21(2)15-28(17-26)35(37,38)39)19-30(33)31-20-25(10-12-34(31)43)27-14-22(3)16-29(18-27)36(40,41)42/h5-20H,4H2,1-3H3
InChIKeyZVSLJVPIIVXTBC-UHFFFAOYSA-N
XLogP11.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.61
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
3-[3-[3,5-bis(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-(3,5-dimethylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-9-(2-methylphenyl)carbazole
CID 170283658
2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
CID 157300764
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162571767
9-[2-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 159969988
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 157318592
9-[2-[3-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 163837931
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 160720659
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 134300530
3,6-bis[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole (CID 170283564) is 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole is CCc1ccccc1-n1c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2c2cc(-c3cc(C)cc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
The InChIKey is ZVSLJVPIIVXTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27F6N/c1-4-23-7-5-6-8-32(23)43-33-11-9-24(26-13-21(2)15-28(17-26)35(37,38)39)19-30(33)31-20-25(10-12-34(31)43)27-14-22(3)16-29(18-27)36(40,41)42/h5-20H,4H2,1-3H3.
What are the key properties of 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole?
9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 587.61 g/mol, XLogP of 11.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylphenyl)-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 170283564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).