9-(4-pyrrol-1-ylbutyl)carbazole

C20H20N2 — CID 14745805

IUPAC9-(4-pyrrol-1-ylbutyl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCCCn1cccc1
InChIInChI=1S/C20H20N2/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)22(19)16-8-7-15-21-13-5-6-14-21/h1-6,9-14H,7-8,15-16H2
InChIKeyBKDCDQGLKJIONR-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.08
Rot. Bonds5

About 9-(4-pyrrol-1-ylbutyl)carbazole

9-(4-pyrrol-1-ylbutyl)carbazole (PubChem CID 14745805) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 9-(4-pyrrol-1-ylbutyl)carbazole.

Molecular Properties

Compound Name9-(4-pyrrol-1-ylbutyl)carbazole
PubChem CID14745805
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name9-(4-pyrrol-1-ylbutyl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCCCn1cccc1
InChIInChI=1S/C20H20N2/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)22(19)16-8-7-15-21-13-5-6-14-21/h1-6,9-14H,7-8,15-16H2
InChIKeyBKDCDQGLKJIONR-UHFFFAOYSA-N
XLogP5.08
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-(4-pyrrol-1-ylbutyl)carbazole?
The IUPAC name of 9-(4-pyrrol-1-ylbutyl)carbazole (CID 14745805) is 9-(4-pyrrol-1-ylbutyl)carbazole.
What is the SMILES notation for 9-(4-pyrrol-1-ylbutyl)carbazole?
The canonical SMILES for 9-(4-pyrrol-1-ylbutyl)carbazole is c1ccc2c(c1)c1ccccc1n2CCCCn1cccc1.
What is the InChIKey of 9-(4-pyrrol-1-ylbutyl)carbazole?
The InChIKey is BKDCDQGLKJIONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)22(19)16-8-7-15-21-13-5-6-14-21/h1-6,9-14H,7-8,15-16H2.
What are the key properties of 9-(4-pyrrol-1-ylbutyl)carbazole?
9-(4-pyrrol-1-ylbutyl)carbazole has a molecular weight of 288.39 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-pyrrol-1-ylbutyl)carbazole is sourced from PubChem (CID 14745805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).