2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene

C24H17Br3 — CID 67039293

IUPAC2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
SMILESCC1=Cc2c(Br)cccc2C1CC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C24H17Br3/c1-13-9-23-16(3-2-4-24(23)27)19(13)12-22-20-10-14(25)5-7-17(20)18-8-6-15(26)11-21(18)22/h2-11,19,22H,12H2,1H3
InChIKeyGJXXORZHCFKVMD-UHFFFAOYSA-N
MW545.11 g/mol
LogP8.68
Rot. Bonds2

About 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene

2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene (PubChem CID 67039293) has the molecular formula C24H17Br3 and a molecular weight of 545.11 g/mol. Its IUPAC name is 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
PubChem CID67039293
Molecular FormulaC24H17Br3
Molecular Weight545.11 g/mol
Exact Mass541.89
IUPAC Name2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
SMILESCC1=Cc2c(Br)cccc2C1CC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C24H17Br3/c1-13-9-23-16(3-2-4-24(23)27)19(13)12-22-20-10-14(25)5-7-17(20)18-8-6-15(26)11-21(18)22/h2-11,19,22H,12H2,1H3
InChIKeyGJXXORZHCFKVMD-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.11
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene?
The IUPAC name of 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene (CID 67039293) is 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene?
The canonical SMILES for 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene is CC1=Cc2c(Br)cccc2C1CC1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene?
The InChIKey is GJXXORZHCFKVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Br3/c1-13-9-23-16(3-2-4-24(23)27)19(13)12-22-20-10-14(25)5-7-17(20)18-8-6-15(26)11-21(18)22/h2-11,19,22H,12H2,1H3.
What are the key properties of 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene?
2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene has a molecular weight of 545.11 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-9H-fluorene is sourced from PubChem (CID 67039293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).