3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole

C19H17N — CID 167223078

IUPAC3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole
SMILESC=C/C=C(\C=C/C)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C19H17N/c1-3-7-14(8-4-2)15-11-12-19-17(13-15)16-9-5-6-10-18(16)20-19/h3-13,20H,1H2,2H3/b8-4-,14-7+
InChIKeyCDECBNOUQGRKOE-PVJUNDMFSA-N
MW259.35 g/mol
LogP5.47
Rot. Bonds3

About 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole

3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole (PubChem CID 167223078) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole.

Molecular Properties

Compound Name3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole
PubChem CID167223078
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole
SMILESC=C/C=C(\C=C/C)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C19H17N/c1-3-7-14(8-4-2)15-11-12-19-17(13-15)16-9-5-6-10-18(16)20-19/h3-13,20H,1H2,2H3/b8-4-,14-7+
InChIKeyCDECBNOUQGRKOE-PVJUNDMFSA-N
XLogP5.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole?
The IUPAC name of 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole (CID 167223078) is 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole.
What is the SMILES notation for 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole?
The canonical SMILES for 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole is C=C/C=C(\C=C/C)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole?
The InChIKey is CDECBNOUQGRKOE-PVJUNDMFSA-N. The full InChI is InChI=1S/C19H17N/c1-3-7-14(8-4-2)15-11-12-19-17(13-15)16-9-5-6-10-18(16)20-19/h3-13,20H,1H2,2H3/b8-4-,14-7+.
What are the key properties of 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole?
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole has a molecular weight of 259.35 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole is sourced from PubChem (CID 167223078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).