4-phenyl-3-propyl-9H-carbazole

C21H19N — CID 21444099

IUPAC4-phenyl-3-propyl-9H-carbazole
SMILESCCCc1ccc2[nH]c3ccccc3c2c1-c1ccccc1
InChIInChI=1S/C21H19N/c1-2-8-15-13-14-19-21(17-11-6-7-12-18(17)22-19)20(15)16-9-4-3-5-10-16/h3-7,9-14,22H,2,8H2,1H3
InChIKeyGVJFRCPXWTVWOW-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.94
Rot. Bonds3

About 4-phenyl-3-propyl-9H-carbazole

4-phenyl-3-propyl-9H-carbazole (PubChem CID 21444099) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-phenyl-3-propyl-9H-carbazole.

Molecular Properties

Compound Name4-phenyl-3-propyl-9H-carbazole
PubChem CID21444099
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name4-phenyl-3-propyl-9H-carbazole
SMILESCCCc1ccc2[nH]c3ccccc3c2c1-c1ccccc1
InChIInChI=1S/C21H19N/c1-2-8-15-13-14-19-21(17-11-6-7-12-18(17)22-19)20(15)16-9-4-3-5-10-16/h3-7,9-14,22H,2,8H2,1H3
InChIKeyGVJFRCPXWTVWOW-UHFFFAOYSA-N
XLogP5.94
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-propyl-9H-carbazole?
The IUPAC name of 4-phenyl-3-propyl-9H-carbazole (CID 21444099) is 4-phenyl-3-propyl-9H-carbazole.
What is the SMILES notation for 4-phenyl-3-propyl-9H-carbazole?
The canonical SMILES for 4-phenyl-3-propyl-9H-carbazole is CCCc1ccc2[nH]c3ccccc3c2c1-c1ccccc1.
What is the InChIKey of 4-phenyl-3-propyl-9H-carbazole?
The InChIKey is GVJFRCPXWTVWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-8-15-13-14-19-21(17-11-6-7-12-18(17)22-19)20(15)16-9-4-3-5-10-16/h3-7,9-14,22H,2,8H2,1H3.
What are the key properties of 4-phenyl-3-propyl-9H-carbazole?
4-phenyl-3-propyl-9H-carbazole has a molecular weight of 285.39 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-propyl-9H-carbazole is sourced from PubChem (CID 21444099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).