9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]

C23H21Br — CID 59243882

IUPAC9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESCc1cc2c(c3ccccc13)-c1ccc(Br)cc1C21CCCCC1
InChIInChI=1S/C23H21Br/c1-15-13-21-22(18-8-4-3-7-17(15)18)19-10-9-16(24)14-20(19)23(21)11-5-2-6-12-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyLXVLBNVVMXYTQK-UHFFFAOYSA-N
MW377.33 g/mol
LogP7.14
Rot. Bonds

About 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]

9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane] (PubChem CID 59243882) has the molecular formula C23H21Br and a molecular weight of 377.33 g/mol. Its IUPAC name is 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane].

Molecular Properties

Compound Name9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]
PubChem CID59243882
Molecular FormulaC23H21Br
Molecular Weight377.33 g/mol
Exact Mass376.08
IUPAC Name9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]
SMILESCc1cc2c(c3ccccc13)-c1ccc(Br)cc1C21CCCCC1
InChIInChI=1S/C23H21Br/c1-15-13-21-22(18-8-4-3-7-17(15)18)19-10-9-16(24)14-20(19)23(21)11-5-2-6-12-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyLXVLBNVVMXYTQK-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.33
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]?
The IUPAC name of 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane] (CID 59243882) is 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane].
What is the SMILES notation for 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]?
The canonical SMILES for 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane] is Cc1cc2c(c3ccccc13)-c1ccc(Br)cc1C21CCCCC1.
What is the InChIKey of 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]?
The InChIKey is LXVLBNVVMXYTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Br/c1-15-13-21-22(18-8-4-3-7-17(15)18)19-10-9-16(24)14-20(19)23(21)11-5-2-6-12-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3.
What are the key properties of 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane]?
9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane] has a molecular weight of 377.33 g/mol, XLogP of 7.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5-methylspiro[benzo[c]fluorene-7,1'-cyclohexane] is sourced from PubChem (CID 59243882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).