5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]

C22H19Br — CID 90277873

IUPAC5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESBrc1cc2c(c3ccccc13)-c1ccccc1C21CCCCC1
InChIInChI=1S/C22H19Br/c23-20-14-19-21(16-9-3-2-8-15(16)20)17-10-4-5-11-18(17)22(19)12-6-1-7-13-22/h2-5,8-11,14H,1,6-7,12-13H2
InChIKeyMZEQXYOBVXLUPP-UHFFFAOYSA-N
MW363.30 g/mol
LogP6.83
Rot. Bonds

About 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]

5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane] (PubChem CID 90277873) has the molecular formula C22H19Br and a molecular weight of 363.30 g/mol. Its IUPAC name is 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane].

Molecular Properties

Compound Name5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]
PubChem CID90277873
Molecular FormulaC22H19Br
Molecular Weight363.30 g/mol
Exact Mass362.07
IUPAC Name5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESBrc1cc2c(c3ccccc13)-c1ccccc1C21CCCCC1
InChIInChI=1S/C22H19Br/c23-20-14-19-21(16-9-3-2-8-15(16)20)17-10-4-5-11-18(17)22(19)12-6-1-7-13-22/h2-5,8-11,14H,1,6-7,12-13H2
InChIKeyMZEQXYOBVXLUPP-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]?
The IUPAC name of 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane] (CID 90277873) is 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane].
What is the SMILES notation for 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]?
The canonical SMILES for 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane] is Brc1cc2c(c3ccccc13)-c1ccccc1C21CCCCC1.
What is the InChIKey of 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]?
The InChIKey is MZEQXYOBVXLUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br/c23-20-14-19-21(16-9-3-2-8-15(16)20)17-10-4-5-11-18(17)22(19)12-6-1-7-13-22/h2-5,8-11,14H,1,6-7,12-13H2.
What are the key properties of 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane]?
5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane] has a molecular weight of 363.30 g/mol, XLogP of 6.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[benzo[c]fluorene-7,1'-cyclohexane] is sourced from PubChem (CID 90277873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).