6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde

C17H13NO — CID 57130109

IUPAC6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde
SMILESC=CC=Cc1ccc2[nH]c3ccc(C=O)cc3c2c1
InChIInChI=1S/C17H13NO/c1-2-3-4-12-5-7-16-14(9-12)15-10-13(11-19)6-8-17(15)18-16/h2-11,18H,1H2
InChIKeyKQDJZJXFOWONLA-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.33
Rot. Bonds3

About 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde

6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde (PubChem CID 57130109) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde
PubChem CID57130109
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde
SMILESC=CC=Cc1ccc2[nH]c3ccc(C=O)cc3c2c1
InChIInChI=1S/C17H13NO/c1-2-3-4-12-5-7-16-14(9-12)15-10-13(11-19)6-8-17(15)18-16/h2-11,18H,1H2
InChIKeyKQDJZJXFOWONLA-UHFFFAOYSA-N
XLogP4.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
6,7-dimethyl-9H-carbazole-3-carbaldehyde
CID 12733102
7-fluoro-9H-carbazole-3-carbaldehyde
CID 90202443
9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 18671949
3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 23559431
2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde
CID 87140887
2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde
CID 23559428
3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole
CID 163731823
1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde
CID 174875105
tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate
CID 11551058
3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-2-enal
CID 169459247
9-sulfanylidene-6,7,8,10-tetrahydro-5H-acridine-2-carbaldehyde
CID 134556464

Frequently Asked Questions

What is the IUPAC name of 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde?
The IUPAC name of 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde (CID 57130109) is 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde is C=CC=Cc1ccc2[nH]c3ccc(C=O)cc3c2c1.
What is the InChIKey of 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde?
The InChIKey is KQDJZJXFOWONLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-2-3-4-12-5-7-16-14(9-12)15-10-13(11-19)6-8-17(15)18-16/h2-11,18H,1H2.
What are the key properties of 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde?
6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde has a molecular weight of 247.30 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 57130109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).