2,7-dibromo-9-phenylfluoren-9-ol

C19H12Br2O — CID 22117546

IUPAC2,7-dibromo-9-phenylfluoren-9-ol
SMILESOC1(c2ccccc2)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C19H12Br2O/c20-13-6-8-15-16-9-7-14(21)11-18(16)19(22,17(15)10-13)12-4-2-1-3-5-12/h1-11,22H
InChIKeyVGZUBRZNTWOSTO-UHFFFAOYSA-N
MW416.11 g/mol
LogP5.48
Rot. Bonds1

About 2,7-dibromo-9-phenylfluoren-9-ol

2,7-dibromo-9-phenylfluoren-9-ol (PubChem CID 22117546) has the molecular formula C19H12Br2O and a molecular weight of 416.11 g/mol. Its IUPAC name is 2,7-dibromo-9-phenylfluoren-9-ol.

Molecular Properties

Compound Name2,7-dibromo-9-phenylfluoren-9-ol
PubChem CID22117546
Molecular FormulaC19H12Br2O
Molecular Weight416.11 g/mol
Exact Mass413.93
IUPAC Name2,7-dibromo-9-phenylfluoren-9-ol
SMILESOC1(c2ccccc2)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C19H12Br2O/c20-13-6-8-15-16-9-7-14(21)11-18(16)19(22,17(15)10-13)12-4-2-1-3-5-12/h1-11,22H
InChIKeyVGZUBRZNTWOSTO-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.11
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-phenylfluoren-9-ol?
The IUPAC name of 2,7-dibromo-9-phenylfluoren-9-ol (CID 22117546) is 2,7-dibromo-9-phenylfluoren-9-ol.
What is the SMILES notation for 2,7-dibromo-9-phenylfluoren-9-ol?
The canonical SMILES for 2,7-dibromo-9-phenylfluoren-9-ol is OC1(c2ccccc2)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-phenylfluoren-9-ol?
The InChIKey is VGZUBRZNTWOSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2O/c20-13-6-8-15-16-9-7-14(21)11-18(16)19(22,17(15)10-13)12-4-2-1-3-5-12/h1-11,22H.
What are the key properties of 2,7-dibromo-9-phenylfluoren-9-ol?
2,7-dibromo-9-phenylfluoren-9-ol has a molecular weight of 416.11 g/mol, XLogP of 5.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-phenylfluoren-9-ol is sourced from PubChem (CID 22117546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).