5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole

C24H17NO — CID 144884875

IUPAC5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole
SMILESC=C/C=C(\C=C)n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C24H17NO/c1-3-9-16(4-2)25-20-12-7-5-11-19(20)23-21(25)15-14-18-17-10-6-8-13-22(17)26-24(18)23/h3-15H,1-2H2/b16-9+
InChIKeyHJIPGJGDZAWSIY-CXUHLZMHSA-N
MW335.41 g/mol
LogP6.91
Rot. Bonds3

About 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole

5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 144884875) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID144884875
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole
SMILESC=C/C=C(\C=C)n1c2ccccc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C24H17NO/c1-3-9-16(4-2)25-20-12-7-5-11-19(20)23-21(25)15-14-18-17-10-6-8-13-22(17)26-24(18)23/h3-15H,1-2H2/b16-9+
InChIKeyHJIPGJGDZAWSIY-CXUHLZMHSA-N
XLogP6.91
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
6-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 142512895
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
buta-1,3-diene;6-(9-dibenzofuran-4-ylcarbazol-3-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 144670218
5-[4-[9-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]fluoren-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 122548602
[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine
CID 121307130
6-(3-dibenzofuran-4-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;prop-1-ene
CID 144604324
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 129299096
(E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine
CID 90132148

Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole (CID 144884875) is 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole is C=C/C=C(\C=C)n1c2ccccc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is HJIPGJGDZAWSIY-CXUHLZMHSA-N. The full InChI is InChI=1S/C24H17NO/c1-3-9-16(4-2)25-20-12-7-5-11-19(20)23-21(25)15-14-18-17-10-6-8-13-22(17)26-24(18)23/h3-15H,1-2H2/b16-9+.
What are the key properties of 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole?
5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 335.41 g/mol, XLogP of 6.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 144884875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).