1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone

C33H26N2O — CID 154338239

IUPAC1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc(C(Cc2ccccn2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H26N2O/c36-32(22-26-10-6-8-20-35-26)24-17-15-23(16-18-24)31(21-25-9-5-7-19-34-25)33-29-13-3-1-11-27(29)28-12-2-4-14-30(28)33/h1-20,31,33H,21-22H2
InChIKeyJDMHAAUFCUEDFR-UHFFFAOYSA-N
MW466.58 g/mol
LogP7.04
Rot. Bonds7

About 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone

1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone (PubChem CID 154338239) has the molecular formula C33H26N2O and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone
PubChem CID154338239
Molecular FormulaC33H26N2O
Molecular Weight466.58 g/mol
Exact Mass466.20
IUPAC Name1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc(C(Cc2ccccn2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H26N2O/c36-32(22-26-10-6-8-20-35-26)24-17-15-23(16-18-24)31(21-25-9-5-7-19-34-25)33-29-13-3-1-11-27(29)28-12-2-4-14-30(28)33/h1-20,31,33H,21-22H2
InChIKeyJDMHAAUFCUEDFR-UHFFFAOYSA-N
XLogP7.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone (CID 154338239) is 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1ccc(C(Cc2ccccn2)C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone?
The InChIKey is JDMHAAUFCUEDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O/c36-32(22-26-10-6-8-20-35-26)24-17-15-23(16-18-24)31(21-25-9-5-7-19-34-25)33-29-13-3-1-11-27(29)28-12-2-4-14-30(28)33/h1-20,31,33H,21-22H2.
What are the key properties of 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone?
1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone has a molecular weight of 466.58 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 154338239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).