11-propan-2-ylbenzo[a]carbazole

C19H17N — CID 118058944

IUPAC11-propan-2-ylbenzo[a]carbazole
SMILESCC(C)n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C19H17N/c1-13(2)20-18-10-6-5-9-16(18)17-12-11-14-7-3-4-8-15(14)19(17)20/h3-13H,1-2H3
InChIKeyUASNEYAOYKSGNU-UHFFFAOYSA-N
MW259.35 g/mol
LogP5.53
Rot. Bonds1

About 11-propan-2-ylbenzo[a]carbazole

11-propan-2-ylbenzo[a]carbazole (PubChem CID 118058944) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 11-propan-2-ylbenzo[a]carbazole.

Molecular Properties

Compound Name11-propan-2-ylbenzo[a]carbazole
PubChem CID118058944
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name11-propan-2-ylbenzo[a]carbazole
SMILESCC(C)n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C19H17N/c1-13(2)20-18-10-6-5-9-16(18)17-12-11-14-7-3-4-8-15(14)19(17)20/h3-13H,1-2H3
InChIKeyUASNEYAOYKSGNU-UHFFFAOYSA-N
XLogP5.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-propan-2-ylbenzo[a]carbazole?
The IUPAC name of 11-propan-2-ylbenzo[a]carbazole (CID 118058944) is 11-propan-2-ylbenzo[a]carbazole.
What is the SMILES notation for 11-propan-2-ylbenzo[a]carbazole?
The canonical SMILES for 11-propan-2-ylbenzo[a]carbazole is CC(C)n1c2ccccc2c2ccc3ccccc3c21.
What is the InChIKey of 11-propan-2-ylbenzo[a]carbazole?
The InChIKey is UASNEYAOYKSGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-13(2)20-18-10-6-5-9-16(18)17-12-11-14-7-3-4-8-15(14)19(17)20/h3-13H,1-2H3.
What are the key properties of 11-propan-2-ylbenzo[a]carbazole?
11-propan-2-ylbenzo[a]carbazole has a molecular weight of 259.35 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propan-2-ylbenzo[a]carbazole is sourced from PubChem (CID 118058944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).