2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol

C42H32Br4O — CID 161405136

IUPAC2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol
SMILESCc1cc(C)cc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.Cc1cc(C)cc(C2c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C21H16Br2O.C21H16Br2/c1-12-7-13(2)9-14(8-12)21(24)19-10-15(22)3-5-17(19)18-6-4-16(23)11-20(18)21;1-12-7-13(2)9-14(8-12)21-19-10-15(22)3-5-17(19)18-6-4-16(23)11-20(18)21/h3-11,24H,1-2H3;3-11,21H,1-2H3
InChIKeyVUSVBMVVTVDROB-UHFFFAOYSA-N
MW872.33 g/mol
LogP13.08
Rot. Bonds2

About 2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol

2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol (PubChem CID 161405136) has the molecular formula C42H32Br4O and a molecular weight of 872.33 g/mol. Its IUPAC name is 2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol.

Molecular Properties

Compound Name2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol
PubChem CID161405136
Molecular FormulaC42H32Br4O
Molecular Weight872.33 g/mol
Exact Mass867.92
IUPAC Name2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol
SMILESCc1cc(C)cc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.Cc1cc(C)cc(C2c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C21H16Br2O.C21H16Br2/c1-12-7-13(2)9-14(8-12)21(24)19-10-15(22)3-5-17(19)18-6-4-16(23)11-20(18)21;1-12-7-13(2)9-14(8-12)21-19-10-15(22)3-5-17(19)18-6-4-16(23)11-20(18)21/h3-11,24H,1-2H3;3-11,21H,1-2H3
InChIKeyVUSVBMVVTVDROB-UHFFFAOYSA-N
XLogP13.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.33
LogP ≤ 513.08
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-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol?
The IUPAC name of 2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol (CID 161405136) is 2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol.
What is the SMILES notation for 2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol?
The canonical SMILES for 2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol is Cc1cc(C)cc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.Cc1cc(C)cc(C2c3cc(Br)ccc3-c3ccc(Br)cc32)c1.
What is the InChIKey of 2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol?
The InChIKey is VUSVBMVVTVDROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br2O.C21H16Br2/c1-12-7-13(2)9-14(8-12)21(24)19-10-15(22)3-5-17(19)18-6-4-16(23)11-20(18)21;1-12-7-13(2)9-14(8-12)21-19-10-15(22)3-5-17(19)18-6-4-16(23)11-20(18)21/h3-11,24H,1-2H3;3-11,21H,1-2H3.
What are the key properties of 2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol?
2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol has a molecular weight of 872.33 g/mol, XLogP of 13.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(3,5-dimethylphenyl)-9H-fluorene;2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-ol is sourced from PubChem (CID 161405136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).