acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol

C42H32Br2Cl2O2 — CID 158367808

IUPACacetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol
SMILESCC(=O)Br.Cc1ccc2c(c1)C(Br)(c1ccc(Cl)cc1)c1ccccc1-2.Cc1ccc2c(c1)C(O)(c1ccc(Cl)cc1)c1ccccc1-2
InChIInChI=1S/C20H14BrCl.C20H15ClO.C2H3BrO/c1-13-6-11-17-16-4-2-3-5-18(16)20(21,19(17)12-13)14-7-9-15(22)10-8-14;1-13-6-11-17-16-4-2-3-5-18(16)20(22,19(17)12-13)14-7-9-15(21)10-8-14;1-2(3)4/h2-12H,1H3;2-12,22H,1H3;1H3
InChIKeyGUFZSSFHQLTNRM-UHFFFAOYSA-N
MW799.43 g/mol
LogP12.16
Rot. Bonds2

About acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol

acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol (PubChem CID 158367808) has the molecular formula C42H32Br2Cl2O2 and a molecular weight of 799.43 g/mol. Its IUPAC name is acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol.

Molecular Properties

Compound Nameacetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol
PubChem CID158367808
Molecular FormulaC42H32Br2Cl2O2
Molecular Weight799.43 g/mol
Exact Mass796.01
IUPAC Nameacetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol
SMILESCC(=O)Br.Cc1ccc2c(c1)C(Br)(c1ccc(Cl)cc1)c1ccccc1-2.Cc1ccc2c(c1)C(O)(c1ccc(Cl)cc1)c1ccccc1-2
InChIInChI=1S/C20H14BrCl.C20H15ClO.C2H3BrO/c1-13-6-11-17-16-4-2-3-5-18(16)20(21,19(17)12-13)14-7-9-15(22)10-8-14;1-13-6-11-17-16-4-2-3-5-18(16)20(22,19(17)12-13)14-7-9-15(21)10-8-14;1-2(3)4/h2-12H,1H3;2-12,22H,1H3;1H3
InChIKeyGUFZSSFHQLTNRM-UHFFFAOYSA-N
XLogP12.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.43
LogP ≤ 512.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;9-(4-methylphenyl)fluoren-9-ol
CID 91233628
(2E)-3-hydroxy-2-[1-hydroxy-1-(4-methylphenyl)-3-oxoinden-2-ylidene]-3-(4-methylphenyl)inden-1-one
CID 102399421
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
7-methyl-9-(2-phenylphenyl)-2H-fluoren-2-id-9-ol;bis(yttrium)
CID 21028400
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 13358152
2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione
CID 10730454
2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
CID 122388776
9-[2-(4-chlorophenyl)phenyl]-2,7-bis(3-phenylphenyl)fluoren-9-ol
CID 155407363
2-bromo-9,10-bis(4-methylphenyl)anthracene-9,10-diol
CID 122205730
2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 137448750
CID 58607554
CID 58607554
9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol
CID 146504428

Frequently Asked Questions

What is the IUPAC name of acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol?
The IUPAC name of acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol (CID 158367808) is acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol.
What is the SMILES notation for acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol?
The canonical SMILES for acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol is CC(=O)Br.Cc1ccc2c(c1)C(Br)(c1ccc(Cl)cc1)c1ccccc1-2.Cc1ccc2c(c1)C(O)(c1ccc(Cl)cc1)c1ccccc1-2.
What is the InChIKey of acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol?
The InChIKey is GUFZSSFHQLTNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrCl.C20H15ClO.C2H3BrO/c1-13-6-11-17-16-4-2-3-5-18(16)20(21,19(17)12-13)14-7-9-15(22)10-8-14;1-13-6-11-17-16-4-2-3-5-18(16)20(22,19(17)12-13)14-7-9-15(21)10-8-14;1-2(3)4/h2-12H,1H3;2-12,22H,1H3;1H3.
What are the key properties of acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol?
acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol has a molecular weight of 799.43 g/mol, XLogP of 12.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl bromide;9-bromo-9-(4-chlorophenyl)-2-methylfluorene;9-(4-chlorophenyl)-2-methylfluoren-9-ol is sourced from PubChem (CID 158367808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).