4-(2-bromo-9-phenylfluoren-9-yl)phenol

C25H17BrO — CID 146438862

IUPAC4-(2-bromo-9-phenylfluoren-9-yl)phenol
SMILESOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C25H17BrO/c26-19-12-15-22-21-8-4-5-9-23(21)25(24(22)16-19,17-6-2-1-3-7-17)18-10-13-20(27)14-11-18/h1-16,27H
InChIKeyWNVRTYFVQFVNJF-UHFFFAOYSA-N
MW413.31 g/mol
LogP6.52
Rot. Bonds2

About 4-(2-bromo-9-phenylfluoren-9-yl)phenol

4-(2-bromo-9-phenylfluoren-9-yl)phenol (PubChem CID 146438862) has the molecular formula C25H17BrO and a molecular weight of 413.31 g/mol. Its IUPAC name is 4-(2-bromo-9-phenylfluoren-9-yl)phenol.

Molecular Properties

Compound Name4-(2-bromo-9-phenylfluoren-9-yl)phenol
PubChem CID146438862
Molecular FormulaC25H17BrO
Molecular Weight413.31 g/mol
Exact Mass412.05
IUPAC Name4-(2-bromo-9-phenylfluoren-9-yl)phenol
SMILESOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C25H17BrO/c26-19-12-15-22-21-8-4-5-9-23(21)25(24(22)16-19,17-6-2-1-3-7-17)18-10-13-20(27)14-11-18/h1-16,27H
InChIKeyWNVRTYFVQFVNJF-UHFFFAOYSA-N
XLogP6.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.31
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
CID 174433449
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
CID 89138178
CID 89138178
2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
CID 177098978
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-2-bromo-9-(4-methylphenyl)fluorene;3-bromobicyclo[4.2.0]octa-1(6),2,4-triene;4-[2-bromo-9-(4-methylphenyl)fluoren-9-yl]phenol
CID 158036392
2-(2,6-dibromo-10,10-diphenylanthracen-9-ylidene)propanedinitrile
CID 147587390
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-9-phenylfluoren-9-yl)phenol?
The IUPAC name of 4-(2-bromo-9-phenylfluoren-9-yl)phenol (CID 146438862) is 4-(2-bromo-9-phenylfluoren-9-yl)phenol.
What is the SMILES notation for 4-(2-bromo-9-phenylfluoren-9-yl)phenol?
The canonical SMILES for 4-(2-bromo-9-phenylfluoren-9-yl)phenol is Oc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 4-(2-bromo-9-phenylfluoren-9-yl)phenol?
The InChIKey is WNVRTYFVQFVNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrO/c26-19-12-15-22-21-8-4-5-9-23(21)25(24(22)16-19,17-6-2-1-3-7-17)18-10-13-20(27)14-11-18/h1-16,27H.
What are the key properties of 4-(2-bromo-9-phenylfluoren-9-yl)phenol?
4-(2-bromo-9-phenylfluoren-9-yl)phenol has a molecular weight of 413.31 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-9-phenylfluoren-9-yl)phenol is sourced from PubChem (CID 146438862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).