2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine

C30H21NS2 — CID 129058299

IUPAC2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine
SMILESC=C/C=c1\c(=C(/C)c2cccc(-c3cccc4c3sc3ccccc34)n2)sc2ccccc12
InChIInChI=1S/C30H21NS2/c1-3-10-22-20-11-4-6-17-27(20)32-29(22)19(2)25-15-9-16-26(31-25)24-14-8-13-23-21-12-5-7-18-28(21)33-30(23)24/h3-18H,1H2,2H3/b22-10-,29-19-
InChIKeyRULIRVHLIFPACO-AAACHFSSSA-N
MW459.64 g/mol
LogP7.52
Rot. Bonds3

About 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine

2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine (PubChem CID 129058299) has the molecular formula C30H21NS2 and a molecular weight of 459.64 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine
PubChem CID129058299
Molecular FormulaC30H21NS2
Molecular Weight459.64 g/mol
Exact Mass459.11
IUPAC Name2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine
SMILESC=C/C=c1\c(=C(/C)c2cccc(-c3cccc4c3sc3ccccc34)n2)sc2ccccc12
InChIInChI=1S/C30H21NS2/c1-3-10-22-20-11-4-6-17-27(20)32-29(22)19(2)25-15-9-16-26(31-25)24-14-8-13-23-21-12-5-7-18-28(21)33-30(23)24/h3-18H,1H2,2H3/b22-10-,29-19-
InChIKeyRULIRVHLIFPACO-AAACHFSSSA-N
XLogP7.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.64
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine?
The IUPAC name of 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine (CID 129058299) is 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine?
The canonical SMILES for 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine is C=C/C=c1\c(=C(/C)c2cccc(-c3cccc4c3sc3ccccc34)n2)sc2ccccc12.
What is the InChIKey of 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine?
The InChIKey is RULIRVHLIFPACO-AAACHFSSSA-N. The full InChI is InChI=1S/C30H21NS2/c1-3-10-22-20-11-4-6-17-27(20)32-29(22)19(2)25-15-9-16-26(31-25)24-14-8-13-23-21-12-5-7-18-28(21)33-30(23)24/h3-18H,1H2,2H3/b22-10-,29-19-.
What are the key properties of 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine?
2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine has a molecular weight of 459.64 g/mol, XLogP of 7.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-6-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]pyridine is sourced from PubChem (CID 129058299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).