5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one

C22H14Br2O — CID 126632998

IUPAC5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one
SMILESCC1(C)c2ccccc2-c2c(Br)cc3c(c21)-c1ccc(Br)cc1C3=O
InChIInChI=1S/C22H14Br2O/c1-22(2)16-6-4-3-5-13(16)19-17(24)10-15-18(20(19)22)12-8-7-11(23)9-14(12)21(15)25/h3-10H,1-2H3
InChIKeyHFCVKGBBZVLJRR-UHFFFAOYSA-N
MW454.16 g/mol
LogP6.73
Rot. Bonds

About 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one

5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one (PubChem CID 126632998) has the molecular formula C22H14Br2O and a molecular weight of 454.16 g/mol. Its IUPAC name is 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one.

Molecular Properties

Compound Name5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one
PubChem CID126632998
Molecular FormulaC22H14Br2O
Molecular Weight454.16 g/mol
Exact Mass451.94
IUPAC Name5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one
SMILESCC1(C)c2ccccc2-c2c(Br)cc3c(c21)-c1ccc(Br)cc1C3=O
InChIInChI=1S/C22H14Br2O/c1-22(2)16-6-4-3-5-13(16)19-17(24)10-15-18(20(19)22)12-8-7-11(23)9-14(12)21(15)25/h3-10H,1-2H3
InChIKeyHFCVKGBBZVLJRR-UHFFFAOYSA-N
XLogP6.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.16
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one?
The IUPAC name of 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one (CID 126632998) is 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one.
What is the SMILES notation for 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one?
The canonical SMILES for 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one is CC1(C)c2ccccc2-c2c(Br)cc3c(c21)-c1ccc(Br)cc1C3=O.
What is the InChIKey of 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one?
The InChIKey is HFCVKGBBZVLJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2O/c1-22(2)16-6-4-3-5-13(16)19-17(24)10-15-18(20(19)22)12-8-7-11(23)9-14(12)21(15)25/h3-10H,1-2H3.
What are the key properties of 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one?
5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one has a molecular weight of 454.16 g/mol, XLogP of 6.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one is sourced from PubChem (CID 126632998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).