1-butyl-11H-benzo[a]carbazole

C20H19N — CID 70621746

IUPAC1-butyl-11H-benzo[a]carbazole
SMILESCCCCc1cccc2ccc3c4ccccc4[nH]c3c12
InChIInChI=1S/C20H19N/c1-2-3-7-14-8-6-9-15-12-13-17-16-10-4-5-11-18(16)21-20(17)19(14)15/h4-6,8-13,21H,2-3,7H2,1H3
InChIKeyPFWZRULJVRDQJQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.82
Rot. Bonds3

About 1-butyl-11H-benzo[a]carbazole

1-butyl-11H-benzo[a]carbazole (PubChem CID 70621746) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-butyl-11H-benzo[a]carbazole.

Molecular Properties

Compound Name1-butyl-11H-benzo[a]carbazole
PubChem CID70621746
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name1-butyl-11H-benzo[a]carbazole
SMILESCCCCc1cccc2ccc3c4ccccc4[nH]c3c12
InChIInChI=1S/C20H19N/c1-2-3-7-14-8-6-9-15-12-13-17-16-10-4-5-11-18(16)21-20(17)19(14)15/h4-6,8-13,21H,2-3,7H2,1H3
InChIKeyPFWZRULJVRDQJQ-UHFFFAOYSA-N
XLogP5.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-11H-benzo[a]carbazole?
The IUPAC name of 1-butyl-11H-benzo[a]carbazole (CID 70621746) is 1-butyl-11H-benzo[a]carbazole.
What is the SMILES notation for 1-butyl-11H-benzo[a]carbazole?
The canonical SMILES for 1-butyl-11H-benzo[a]carbazole is CCCCc1cccc2ccc3c4ccccc4[nH]c3c12.
What is the InChIKey of 1-butyl-11H-benzo[a]carbazole?
The InChIKey is PFWZRULJVRDQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-2-3-7-14-8-6-9-15-12-13-17-16-10-4-5-11-18(16)21-20(17)19(14)15/h4-6,8-13,21H,2-3,7H2,1H3.
What are the key properties of 1-butyl-11H-benzo[a]carbazole?
1-butyl-11H-benzo[a]carbazole has a molecular weight of 273.38 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-11H-benzo[a]carbazole is sourced from PubChem (CID 70621746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).