2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone

C32H30N2O — CID 134139727

IUPAC2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H30N2O/c35-30(31-28-17-9-7-15-26(28)27-16-8-10-18-29(27)31)23-33-19-21-34(22-20-33)32(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-18,31-32H,19-23H2
InChIKeyWFYLVPRSRGXJDR-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.78
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone

2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone (PubChem CID 134139727) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone
PubChem CID134139727
Molecular FormulaC32H30N2O
Molecular Weight458.61 g/mol
Exact Mass458.24
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C32H30N2O/c35-30(31-28-17-9-7-15-26(28)27-16-8-10-18-29(27)31)23-33-19-21-34(22-20-33)32(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-18,31-32H,19-23H2
InChIKeyWFYLVPRSRGXJDR-UHFFFAOYSA-N
XLogP5.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone (CID 134139727) is 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone is O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone?
The InChIKey is WFYLVPRSRGXJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O/c35-30(31-28-17-9-7-15-26(28)27-16-8-10-18-29(27)31)23-33-19-21-34(22-20-33)32(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-18,31-32H,19-23H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone?
2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone has a molecular weight of 458.61 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-1-(9H-fluoren-9-yl)ethanone is sourced from PubChem (CID 134139727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).