3,6-dibromo-9-octylcarbazole

C20H23Br2N — CID 11339570

IUPAC3,6-dibromo-9-octylcarbazole
SMILESCCCCCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C20H23Br2N/c1-2-3-4-5-6-7-12-23-19-10-8-15(21)13-17(19)18-14-16(22)9-11-20(18)23/h8-11,13-14H,2-7,12H2,1H3
InChIKeyMFYGWCVLNPQWRR-UHFFFAOYSA-N
MW437.22 g/mol
LogP7.68
Rot. Bonds7

About 3,6-dibromo-9-octylcarbazole

3,6-dibromo-9-octylcarbazole (PubChem CID 11339570) has the molecular formula C20H23Br2N and a molecular weight of 437.22 g/mol. Its IUPAC name is 3,6-dibromo-9-octylcarbazole.

Molecular Properties

Compound Name3,6-dibromo-9-octylcarbazole
PubChem CID11339570
Molecular FormulaC20H23Br2N
Molecular Weight437.22 g/mol
Exact Mass435.02
IUPAC Name3,6-dibromo-9-octylcarbazole
SMILESCCCCCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C20H23Br2N/c1-2-3-4-5-6-7-12-23-19-10-8-15(21)13-17(19)18-14-16(22)9-11-20(18)23/h8-11,13-14H,2-7,12H2,1H3
InChIKeyMFYGWCVLNPQWRR-UHFFFAOYSA-N
XLogP7.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.22
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-octylcarbazole?
The IUPAC name of 3,6-dibromo-9-octylcarbazole (CID 11339570) is 3,6-dibromo-9-octylcarbazole.
What is the SMILES notation for 3,6-dibromo-9-octylcarbazole?
The canonical SMILES for 3,6-dibromo-9-octylcarbazole is CCCCCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9-octylcarbazole?
The InChIKey is MFYGWCVLNPQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br2N/c1-2-3-4-5-6-7-12-23-19-10-8-15(21)13-17(19)18-14-16(22)9-11-20(18)23/h8-11,13-14H,2-7,12H2,1H3.
What are the key properties of 3,6-dibromo-9-octylcarbazole?
3,6-dibromo-9-octylcarbazole has a molecular weight of 437.22 g/mol, XLogP of 7.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-octylcarbazole is sourced from PubChem (CID 11339570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).