[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone

C23H15F6NO — CID 155432714

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C23H15F6NO/c1-2-30-19-6-4-3-5-17(19)18-11-13(7-8-20(18)30)21(31)14-9-15(22(24,25)26)12-16(10-14)23(27,28)29/h3-12H,2H2,1H3
InChIKeyXNOHYAGFUYRINW-UHFFFAOYSA-N
MW435.37 g/mol
LogP7.08
Rot. Bonds3

About [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone

[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone (PubChem CID 155432714) has the molecular formula C23H15F6NO and a molecular weight of 435.37 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
PubChem CID155432714
Molecular FormulaC23H15F6NO
Molecular Weight435.37 g/mol
Exact Mass435.11
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C23H15F6NO/c1-2-30-19-6-4-3-5-17(19)18-11-13(7-8-20(18)30)21(31)14-9-15(22(24,25)26)12-16(10-14)23(27,28)29/h3-12H,2H2,1H3
InChIKeyXNOHYAGFUYRINW-UHFFFAOYSA-N
XLogP7.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.37
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethylcarbazole-3-carboxylate
CID 7148416
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 155432884
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
[[4-(9-ethylcarbazole-3-carbonyl)phenyl]-phenyl-λ3-iodanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 155660574
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
CID 70957250
(6-benzoyl-8,9-diethylcarbazol-3-yl)-phenylmethanone
CID 174793768

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone (CID 155432714) is [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone is CCn1c2ccccc2c2cc(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone?
The InChIKey is XNOHYAGFUYRINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6NO/c1-2-30-19-6-4-3-5-17(19)18-11-13(7-8-20(18)30)21(31)14-9-15(22(24,25)26)12-16(10-14)23(27,28)29/h3-12H,2H2,1H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone?
[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone has a molecular weight of 435.37 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone is sourced from PubChem (CID 155432714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).