3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole

C19H15N — CID 155130317

IUPAC3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole
SMILESC1=CCC=CC(c2ccc3[nH]c4ccccc4c3c2)=C1
InChIInChI=1S/C19H15N/c1-2-4-8-14(7-3-1)15-11-12-19-17(13-15)16-9-5-6-10-18(16)20-19/h1,3-13,20H,2H2
InChIKeyFMJHGLZSXXMXTO-UHFFFAOYSA-N
MW257.34 g/mol
LogP5.22
Rot. Bonds1

About 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole

3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole (PubChem CID 155130317) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole.

Molecular Properties

Compound Name3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole
PubChem CID155130317
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole
SMILESC1=CCC=CC(c2ccc3[nH]c4ccccc4c3c2)=C1
InChIInChI=1S/C19H15N/c1-2-4-8-14(7-3-1)15-11-12-19-17(13-15)16-9-5-6-10-18(16)20-19/h1,3-13,20H,2H2
InChIKeyFMJHGLZSXXMXTO-UHFFFAOYSA-N
XLogP5.22
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.34
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole?
The IUPAC name of 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole (CID 155130317) is 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole.
What is the SMILES notation for 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole?
The canonical SMILES for 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole is C1=CCC=CC(c2ccc3[nH]c4ccccc4c3c2)=C1.
What is the InChIKey of 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole?
The InChIKey is FMJHGLZSXXMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-2-4-8-14(7-3-1)15-11-12-19-17(13-15)16-9-5-6-10-18(16)20-19/h1,3-13,20H,2H2.
What are the key properties of 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole?
3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole has a molecular weight of 257.34 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole is sourced from PubChem (CID 155130317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).