2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene

C21H16Br2 — CID 129015680

IUPAC2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
SMILESCc1cccc(C2(C)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C21H16Br2/c1-13-4-3-5-14(10-13)21(2)19-11-15(22)6-8-17(19)18-9-7-16(23)12-20(18)21/h3-12H,1-2H3
InChIKeyQHRGUMZEZKUIBB-UHFFFAOYSA-N
MW428.17 g/mol
LogP6.85
Rot. Bonds1

About 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene

2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene (PubChem CID 129015680) has the molecular formula C21H16Br2 and a molecular weight of 428.17 g/mol. Its IUPAC name is 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
PubChem CID129015680
Molecular FormulaC21H16Br2
Molecular Weight428.17 g/mol
Exact Mass425.96
IUPAC Name2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
SMILESCc1cccc(C2(C)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C21H16Br2/c1-13-4-3-5-14(10-13)21(2)19-11-15(22)6-8-17(19)18-9-7-16(23)12-20(18)21/h3-12H,1-2H3
InChIKeyQHRGUMZEZKUIBB-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.17
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
2,6-dibromo-9-methyl-9-phenylfluorene
CID 167225075
2-bromo-9-(3-hexyl-5-methylphenyl)-7,9-dimethylfluorene
CID 129263040
9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7,9-trimethylfluorene
CID 157283821
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
3,6-dibutyl-9-(3,5-dimethylphenyl)-2,7,9-trimethylfluorene;9-(3,5-dimethylphenyl)-3,6-diethyl-2,7,9-trimethylfluorene;9-(3,5-dimethylphenyl)-2,3,6,7,9-pentamethylfluorene;9-(3,5-dimethylphenyl)-2,3,7,9-tetramethylfluorene;2,3,6,7,9-pentamethyl-9-(3-methylphenyl)fluorene
CID 161396249
3,6-dibutyl-2,7,9-trimethyl-9-(3-methylphenyl)fluorene;3,6-diethyl-2,7,9-trimethyl-9-(3-methylphenyl)fluorene;9-(3,5-dimethylphenyl)-2,3,7,9-tetramethylfluorene;2,3,6,7,9-pentamethyl-9-(3-methylphenyl)fluorene;2,3,7,9-tetramethyl-9-(3-methylphenyl)fluorene
CID 158048034
4-bromo-2,7,9-trimethyl-9-phenylfluorene
CID 166464478
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
CID 174433449
2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
CID 23150365
2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol
CID 90251029

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene?
The IUPAC name of 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene (CID 129015680) is 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene.
What is the SMILES notation for 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene?
The canonical SMILES for 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene is Cc1cccc(C2(C)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.
What is the InChIKey of 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene?
The InChIKey is QHRGUMZEZKUIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br2/c1-13-4-3-5-14(10-13)21(2)19-11-15(22)6-8-17(19)18-9-7-16(23)12-20(18)21/h3-12H,1-2H3.
What are the key properties of 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene?
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene has a molecular weight of 428.17 g/mol, XLogP of 6.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene is sourced from PubChem (CID 129015680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).