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

C19H16BrN — CID 146535446

IUPAC4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2c(Br)cccc21
InChIInChI=1S/C19H16BrN/c1-3-8-14(9-4-2)21-17-12-6-5-10-15(17)19-16(20)11-7-13-18(19)21/h3-13H,1H2,2H3/b9-4-,14-8+
InChIKeyMGIIHQHRUKUXDI-MPIKLPQRSA-N
MW338.25 g/mol
LogP6.16
Rot. Bonds3

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

4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole (PubChem CID 146535446) has the molecular formula C19H16BrN and a molecular weight of 338.25 g/mol. Its IUPAC name is 4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole.

Molecular Properties

Compound Name4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
PubChem CID146535446
Molecular FormulaC19H16BrN
Molecular Weight338.25 g/mol
Exact Mass337.05
IUPAC Name4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
SMILESC=C/C=C(\C=C/C)n1c2ccccc2c2c(Br)cccc21
InChIInChI=1S/C19H16BrN/c1-3-8-14(9-4-2)21-17-12-6-5-10-15(17)19-16(20)11-7-13-18(19)21/h3-13H,1H2,2H3/b9-4-,14-8+
InChIKeyMGIIHQHRUKUXDI-MPIKLPQRSA-N
XLogP6.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
The IUPAC name of 4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole (CID 146535446) is 4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole.
What is the SMILES notation for 4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
The canonical SMILES for 4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole is C=C/C=C(\C=C/C)n1c2ccccc2c2c(Br)cccc21.
What is the InChIKey of 4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
The InChIKey is MGIIHQHRUKUXDI-MPIKLPQRSA-N. The full InChI is InChI=1S/C19H16BrN/c1-3-8-14(9-4-2)21-17-12-6-5-10-15(17)19-16(20)11-7-13-18(19)21/h3-13H,1H2,2H3/b9-4-,14-8+.
What are the key properties of 4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole?
4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole has a molecular weight of 338.25 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole is sourced from PubChem (CID 146535446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).