3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole

C18H14BrNO — CID 114822506

IUPAC3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole
SMILESCc1cc(C(Br)c2ccc3[nH]c4ccccc4c3c2)co1
InChIInChI=1S/C18H14BrNO/c1-11-8-13(10-21-11)18(19)12-6-7-17-15(9-12)14-4-2-3-5-16(14)20-17/h2-10,18,20H,1H3
InChIKeyVIMIUNAHKYSADH-UHFFFAOYSA-N
MW340.22 g/mol
LogP5.71
Rot. Bonds2

About 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole

3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole (PubChem CID 114822506) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole.

Molecular Properties

Compound Name3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole
PubChem CID114822506
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole
SMILESCc1cc(C(Br)c2ccc3[nH]c4ccccc4c3c2)co1
InChIInChI=1S/C18H14BrNO/c1-11-8-13(10-21-11)18(19)12-6-7-17-15(9-12)14-4-2-3-5-16(14)20-17/h2-10,18,20H,1H3
InChIKeyVIMIUNAHKYSADH-UHFFFAOYSA-N
XLogP5.71
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.22
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole?
The IUPAC name of 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole (CID 114822506) is 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole.
What is the SMILES notation for 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole?
The canonical SMILES for 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole is Cc1cc(C(Br)c2ccc3[nH]c4ccccc4c3c2)co1.
What is the InChIKey of 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole?
The InChIKey is VIMIUNAHKYSADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c1-11-8-13(10-21-11)18(19)12-6-7-17-15(9-12)14-4-2-3-5-16(14)20-17/h2-10,18,20H,1H3.
What are the key properties of 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole?
3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole has a molecular weight of 340.22 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(5-methylfuran-3-yl)methyl]-9H-carbazole is sourced from PubChem (CID 114822506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).