9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole

C18H11BrClN — CID 171467504

IUPAC9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(Br)cc1Cl
InChIInChI=1S/C18H11BrClN/c19-12-9-10-18(15(20)11-12)21-16-7-3-1-5-13(16)14-6-2-4-8-17(14)21/h1-11H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKeyVFYFKINOMIWXFN-PGRXLJNUSA-N
MW364.70 g/mol
LogP6.20
Rot. Bonds1

About 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole

9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole (PubChem CID 171467504) has the molecular formula C18H11BrClN and a molecular weight of 364.70 g/mol. Its IUPAC name is 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

Molecular Properties

Compound Name9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole
PubChem CID171467504
Molecular FormulaC18H11BrClN
Molecular Weight364.70 g/mol
Exact Mass363.03
IUPAC Name9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(Br)cc1Cl
InChIInChI=1S/C18H11BrClN/c19-12-9-10-18(15(20)11-12)21-16-7-3-1-5-13(16)14-6-2-4-8-17(14)21/h1-11H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKeyVFYFKINOMIWXFN-PGRXLJNUSA-N
XLogP6.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The IUPAC name of 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole (CID 171467504) is 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole.
What is the SMILES notation for 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The canonical SMILES for 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(Br)cc1Cl.
What is the InChIKey of 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The InChIKey is VFYFKINOMIWXFN-PGRXLJNUSA-N. The full InChI is InChI=1S/C18H11BrClN/c19-12-9-10-18(15(20)11-12)21-16-7-3-1-5-13(16)14-6-2-4-8-17(14)21/h1-11H/i1D,2D,3D,4D,5D,6D,7D,8D.
What are the key properties of 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole has a molecular weight of 364.70 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromo-2-chlorophenyl)-1,2,3,4,5,6,7,8-octadeuteriocarbazole is sourced from PubChem (CID 171467504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).