9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine

C24H19NOS — CID 123148491

IUPAC9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine
SMILESC=CC=C(C=CC)c1ccc(Sc2c3ccccc3nc3ccccc23)o1
InChIInChI=1S/C24H19NOS/c1-3-9-17(10-4-2)22-15-16-23(26-22)27-24-18-11-5-7-13-20(18)25-21-14-8-6-12-19(21)24/h3-16H,1H2,2H3
InChIKeyCIVRWNLUQBNXRL-UHFFFAOYSA-N
MW369.49 g/mol
LogP7.28
Rot. Bonds5

About 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine

9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine (PubChem CID 123148491) has the molecular formula C24H19NOS and a molecular weight of 369.49 g/mol. Its IUPAC name is 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine.

Molecular Properties

Compound Name9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine
PubChem CID123148491
Molecular FormulaC24H19NOS
Molecular Weight369.49 g/mol
Exact Mass369.12
IUPAC Name9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine
SMILESC=CC=C(C=CC)c1ccc(Sc2c3ccccc3nc3ccccc23)o1
InChIInChI=1S/C24H19NOS/c1-3-9-17(10-4-2)22-15-16-23(26-22)27-24-18-11-5-7-13-20(18)25-21-14-8-6-12-19(21)24/h3-16H,1H2,2H3
InChIKeyCIVRWNLUQBNXRL-UHFFFAOYSA-N
XLogP7.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenyl-1,3-oxazol-2-yl]sulfanylmethanamine
CID 143576012
5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene
CID 143060546
5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 129162620
5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,2-oxazole-3-carboxylic acid
CID 145123854
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
2-fluoro-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine
CID 155120309
N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine
CID 145442455
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 138665431
N,N-bis(4-dibenzofuran-3-ylphenyl)-4-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]aniline
CID 167257270
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)quinoxaline
CID 162733544

Frequently Asked Questions

What is the IUPAC name of 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine?
The IUPAC name of 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine (CID 123148491) is 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine.
What is the SMILES notation for 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine?
The canonical SMILES for 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine is C=CC=C(C=CC)c1ccc(Sc2c3ccccc3nc3ccccc23)o1.
What is the InChIKey of 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine?
The InChIKey is CIVRWNLUQBNXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NOS/c1-3-9-17(10-4-2)22-15-16-23(26-22)27-24-18-11-5-7-13-20(18)25-21-14-8-6-12-19(21)24/h3-16H,1H2,2H3.
What are the key properties of 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine?
9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine has a molecular weight of 369.49 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-hepta-1,3,5-trien-4-ylfuran-2-yl)sulfanylacridine is sourced from PubChem (CID 123148491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).