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

C24H18Br2 — CID 67039566

IUPAC2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
SMILESCC1=Cc2ccccc2C1CC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C24H18Br2/c1-14-10-15-4-2-3-5-18(15)21(14)13-24-22-11-16(25)6-8-19(22)20-9-7-17(26)12-23(20)24/h2-12,21,24H,13H2,1H3
InChIKeySRSOQGIWHDAXJN-UHFFFAOYSA-N
MW466.22 g/mol
LogP7.91
Rot. Bonds2

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

2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene (PubChem CID 67039566) has the molecular formula C24H18Br2 and a molecular weight of 466.22 g/mol. Its IUPAC name is 2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
PubChem CID67039566
Molecular FormulaC24H18Br2
Molecular Weight466.22 g/mol
Exact Mass463.98
IUPAC Name2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene
SMILESCC1=Cc2ccccc2C1CC1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C24H18Br2/c1-14-10-15-4-2-3-5-18(15)21(14)13-24-22-11-16(25)6-8-19(22)20-9-7-17(26)12-23(20)24/h2-12,21,24H,13H2,1H3
InChIKeySRSOQGIWHDAXJN-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.22
LogP ≤ 57.91
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-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene?
The IUPAC name of 2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene (CID 67039566) is 2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene?
The canonical SMILES for 2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene is CC1=Cc2ccccc2C1CC1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene?
The InChIKey is SRSOQGIWHDAXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2/c1-14-10-15-4-2-3-5-18(15)21(14)13-24-22-11-16(25)6-8-19(22)20-9-7-17(26)12-23(20)24/h2-12,21,24H,13H2,1H3.
What are the key properties of 2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene?
2,7-dibromo-9-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene has a molecular weight of 466.22 g/mol, XLogP of 7.91, 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-[(2-methyl-1H-inden-1-yl)methyl]-9H-fluorene is sourced from PubChem (CID 67039566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).