9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole

C27H22BrN — CID 71519442

IUPAC9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole
SMILESCCc1cc(-c2ccccc2)c2c3cc(Br)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C27H22BrN/c1-2-19-15-23(21-11-7-4-8-12-21)27-24-17-22(28)13-14-25(24)29(26(27)16-19)18-20-9-5-3-6-10-20/h3-17H,2,18H2,1H3
InChIKeyKEQKVSWBWWWCFY-UHFFFAOYSA-N
MW440.38 g/mol
LogP7.83
Rot. Bonds4

About 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole

9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole (PubChem CID 71519442) has the molecular formula C27H22BrN and a molecular weight of 440.38 g/mol. Its IUPAC name is 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole.

Molecular Properties

Compound Name9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole
PubChem CID71519442
Molecular FormulaC27H22BrN
Molecular Weight440.38 g/mol
Exact Mass439.09
IUPAC Name9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole
SMILESCCc1cc(-c2ccccc2)c2c3cc(Br)ccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C27H22BrN/c1-2-19-15-23(21-11-7-4-8-12-21)27-24-17-22(28)13-14-25(24)29(26(27)16-19)18-20-9-5-3-6-10-20/h3-17H,2,18H2,1H3
InChIKeyKEQKVSWBWWWCFY-UHFFFAOYSA-N
XLogP7.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole?
The IUPAC name of 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole (CID 71519442) is 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole.
What is the SMILES notation for 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole?
The canonical SMILES for 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole is CCc1cc(-c2ccccc2)c2c3cc(Br)ccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole?
The InChIKey is KEQKVSWBWWWCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BrN/c1-2-19-15-23(21-11-7-4-8-12-21)27-24-17-22(28)13-14-25(24)29(26(27)16-19)18-20-9-5-3-6-10-20/h3-17H,2,18H2,1H3.
What are the key properties of 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole?
9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole has a molecular weight of 440.38 g/mol, XLogP of 7.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-6-bromo-2-ethyl-4-phenylcarbazole is sourced from PubChem (CID 71519442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).