4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol

C27H20Br2O — CID 174433449

IUPAC4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
SMILESCc1cc(C)cc(C2(c3ccc(O)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C27H20Br2O/c1-16-11-17(2)13-19(12-16)27(18-3-7-22(30)8-4-18)25-14-20(28)5-9-23(25)24-10-6-21(29)15-26(24)27/h3-15,30H,1-2H3
InChIKeyWRWJRWNVCSNVRF-UHFFFAOYSA-N
MW520.26 g/mol
LogP7.90
Rot. Bonds2

About 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol

4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol (PubChem CID 174433449) has the molecular formula C27H20Br2O and a molecular weight of 520.26 g/mol. Its IUPAC name is 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
PubChem CID174433449
Molecular FormulaC27H20Br2O
Molecular Weight520.26 g/mol
Exact Mass517.99
IUPAC Name4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
SMILESCc1cc(C)cc(C2(c3ccc(O)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C27H20Br2O/c1-16-11-17(2)13-19(12-16)27(18-3-7-22(30)8-4-18)25-14-20(28)5-9-23(25)24-10-6-21(29)15-26(24)27/h3-15,30H,1-2H3
InChIKeyWRWJRWNVCSNVRF-UHFFFAOYSA-N
XLogP7.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.26
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol?
The IUPAC name of 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol (CID 174433449) is 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol is Cc1cc(C)cc(C2(c3ccc(O)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.
What is the InChIKey of 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol?
The InChIKey is WRWJRWNVCSNVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Br2O/c1-16-11-17(2)13-19(12-16)27(18-3-7-22(30)8-4-18)25-14-20(28)5-9-23(25)24-10-6-21(29)15-26(24)27/h3-15,30H,1-2H3.
What are the key properties of 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol?
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol has a molecular weight of 520.26 g/mol, XLogP of 7.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 174433449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).