[8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone

C34H25F8NO4 — CID 172755055

IUPAC[8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESCCc1cc(C(=O)c2ccc(OCC(F)(F)C(F)F)cc2)cc2c1[nH]c1ccc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3)cc12
InChIInChI=1S/C34H25F8NO4/c1-2-18-13-22(30(45)20-5-10-24(11-6-20)47-17-34(41,42)32(37)38)15-26-25-14-21(7-12-27(25)43-28(18)26)29(44)19-3-8-23(9-4-19)46-16-33(39,40)31(35)36/h3-15,31-32,43H,2,16-17H2,1H3
InChIKeyKXDRZJRGTOBRCU-UHFFFAOYSA-N
MW663.56 g/mol
LogP8.90
Rot. Bonds13

About [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone

[8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (PubChem CID 172755055) has the molecular formula C34H25F8NO4 and a molecular weight of 663.56 g/mol. Its IUPAC name is [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.

Molecular Properties

Compound Name[8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
PubChem CID172755055
Molecular FormulaC34H25F8NO4
Molecular Weight663.56 g/mol
Exact Mass663.17
IUPAC Name[8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESCCc1cc(C(=O)c2ccc(OCC(F)(F)C(F)F)cc2)cc2c1[nH]c1ccc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3)cc12
InChIInChI=1S/C34H25F8NO4/c1-2-18-13-22(30(45)20-5-10-24(11-6-20)47-17-34(41,42)32(37)38)15-26-25-14-21(7-12-27(25)43-28(18)26)29(44)19-3-8-23(9-4-19)46-16-33(39,40)31(35)36/h3-15,31-32,43H,2,16-17H2,1H3
InChIKeyKXDRZJRGTOBRCU-UHFFFAOYSA-N
XLogP8.90
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.56
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 155432884
[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 155432543
4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride
CID 12644770
butane;6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylic acid
CID 121473005
ethyl 3-[2-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methylamino]ethyl]-1H-indole-5-carboxylate
CID 87916602
5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
CID 121268116
4-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]benzoic acid
CID 43532345
2,2,3,3-tetrafluoropropyl 4-(4-butoxyphenyl)benzoate
CID 21180058
(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine
CID 29004969
1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800999
1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388

Frequently Asked Questions

What is the IUPAC name of [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The IUPAC name of [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (CID 172755055) is [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.
What is the SMILES notation for [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The canonical SMILES for [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is CCc1cc(C(=O)c2ccc(OCC(F)(F)C(F)F)cc2)cc2c1[nH]c1ccc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3)cc12.
What is the InChIKey of [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The InChIKey is KXDRZJRGTOBRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F8NO4/c1-2-18-13-22(30(45)20-5-10-24(11-6-20)47-17-34(41,42)32(37)38)15-26-25-14-21(7-12-27(25)43-28(18)26)29(44)19-3-8-23(9-4-19)46-16-33(39,40)31(35)36/h3-15,31-32,43H,2,16-17H2,1H3.
What are the key properties of [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
[8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone has a molecular weight of 663.56 g/mol, XLogP of 8.90, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is sourced from PubChem (CID 172755055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).