2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide

C31H25Br4IO3 — CID 159352516

IUPAC2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide
SMILESC=CCC1(O)c2cc(Br)ccc2-c2ccc(Br)cc21.I.OCCC1(O)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C16H12Br2O.C15H12Br2O2.HI/c1-2-7-16(19)14-8-10(17)3-5-12(14)13-6-4-11(18)9-15(13)16;16-9-1-3-11-12-4-2-10(17)8-14(12)15(19,5-6-18)13(11)7-9;/h2-6,8-9,19H,1,7H2;1-4,7-8,18-19H,5-6H2;1H
InChIKeyRXKDCXGEGGSZOZ-UHFFFAOYSA-N
MW892.06 g/mol
LogP9.43
Rot. Bonds4

About 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide

2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide (PubChem CID 159352516) has the molecular formula C31H25Br4IO3 and a molecular weight of 892.06 g/mol. Its IUPAC name is 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide.

Molecular Properties

Compound Name2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide
PubChem CID159352516
Molecular FormulaC31H25Br4IO3
Molecular Weight892.06 g/mol
Exact Mass887.76
IUPAC Name2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide
SMILESC=CCC1(O)c2cc(Br)ccc2-c2ccc(Br)cc21.I.OCCC1(O)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C16H12Br2O.C15H12Br2O2.HI/c1-2-7-16(19)14-8-10(17)3-5-12(14)13-6-4-11(18)9-15(13)16;16-9-1-3-11-12-4-2-10(17)8-14(12)15(19,5-6-18)13(11)7-9;/h2-6,8-9,19H,1,7H2;1-4,7-8,18-19H,5-6H2;1H
InChIKeyRXKDCXGEGGSZOZ-UHFFFAOYSA-N
XLogP9.43
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.06
LogP ≤ 59.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide?
The IUPAC name of 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide (CID 159352516) is 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide.
What is the SMILES notation for 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide?
The canonical SMILES for 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide is C=CCC1(O)c2cc(Br)ccc2-c2ccc(Br)cc21.I.OCCC1(O)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide?
The InChIKey is RXKDCXGEGGSZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2O.C15H12Br2O2.HI/c1-2-7-16(19)14-8-10(17)3-5-12(14)13-6-4-11(18)9-15(13)16;16-9-1-3-11-12-4-2-10(17)8-14(12)15(19,5-6-18)13(11)7-9;/h2-6,8-9,19H,1,7H2;1-4,7-8,18-19H,5-6H2;1H.
What are the key properties of 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide?
2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide has a molecular weight of 892.06 g/mol, XLogP of 9.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(2-hydroxyethyl)fluoren-9-ol;2,7-dibromo-9-prop-2-enylfluoren-9-ol;hydroiodide is sourced from PubChem (CID 159352516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).