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

C34H25F8NO4 — CID 155432543

IUPAC[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESCCn1c2ccc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3)cc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(F)F)ccc21
InChIInChI=1S/C34H25F8NO4/c1-2-43-26-13-9-20(29(44)19-7-11-22(12-8-19)46-17-33(39,40)31(35)36)15-24(26)25-16-21(10-14-27(25)43)30(45)23-5-3-4-6-28(23)47-18-34(41,42)32(37)38/h3-16,31-32H,2,17-18H2,1H3
InChIKeyLHRUAUOXRFXLPC-UHFFFAOYSA-N
MW663.56 g/mol
LogP8.83
Rot. Bonds13

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

[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (PubChem CID 155432543) has the molecular formula C34H25F8NO4 and a molecular weight of 663.56 g/mol. Its IUPAC name is [9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.

Molecular Properties

Compound Name[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
PubChem CID155432543
Molecular FormulaC34H25F8NO4
Molecular Weight663.56 g/mol
Exact Mass663.17
IUPAC Name[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESCCn1c2ccc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3)cc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(F)F)ccc21
InChIInChI=1S/C34H25F8NO4/c1-2-43-26-13-9-20(29(44)19-7-11-22(12-8-19)46-17-33(39,40)31(35)36)15-24(26)25-16-21(10-14-27(25)43)30(45)23-5-3-4-6-28(23)47-18-34(41,42)32(37)38/h3-16,31-32H,2,17-18H2,1H3
InChIKeyLHRUAUOXRFXLPC-UHFFFAOYSA-N
XLogP8.83
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.56
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The IUPAC name of [9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (CID 155432543) is [9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.
What is the SMILES notation for [9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The canonical SMILES for [9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is CCn1c2ccc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3)cc2c2cc(C(=O)c3ccccc3OCC(F)(F)C(F)F)ccc21.
What is the InChIKey of [9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The InChIKey is LHRUAUOXRFXLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F8NO4/c1-2-43-26-13-9-20(29(44)19-7-11-22(12-8-19)46-17-33(39,40)31(35)36)15-24(26)25-16-21(10-14-27(25)43)30(45)23-5-3-4-6-28(23)47-18-34(41,42)32(37)38/h3-16,31-32H,2,17-18H2,1H3.
What are the key properties of [9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone has a molecular weight of 663.56 g/mol, XLogP of 8.83, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is sourced from PubChem (CID 155432543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).