2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran

C30H22OS — CID 163588047

IUPAC2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran
SMILESC=C(/C(C)=C(\C)c1ccc2sc3ccccc3c2c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C30H22OS/c1-18(19(2)21-12-14-28-25(16-21)23-8-4-6-10-27(23)31-28)20(3)22-13-15-30-26(17-22)24-9-5-7-11-29(24)32-30/h4-17H,2H2,1,3H3/b20-18+
InChIKeyGNEDOUDWQIZDAL-CZIZESTLSA-N
MW430.57 g/mol
LogP9.46
Rot. Bonds3

About 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran

2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran (PubChem CID 163588047) has the molecular formula C30H22OS and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran.

Molecular Properties

Compound Name2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran
PubChem CID163588047
Molecular FormulaC30H22OS
Molecular Weight430.57 g/mol
Exact Mass430.14
IUPAC Name2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran
SMILESC=C(/C(C)=C(\C)c1ccc2sc3ccccc3c2c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C30H22OS/c1-18(19(2)21-12-14-28-25(16-21)23-8-4-6-10-27(23)31-28)20(3)22-13-15-30-26(17-22)24-9-5-7-11-29(24)32-30/h4-17H,2H2,1,3H3/b20-18+
InChIKeyGNEDOUDWQIZDAL-CZIZESTLSA-N
XLogP9.46
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-prop-1-en-2-yldibenzofuran
CID 142504770
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
tetrakis(dibenzofuran);tris(dibenzothiophene);ethane;toluene
CID 158105670

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran?
The IUPAC name of 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran (CID 163588047) is 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran.
What is the SMILES notation for 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran?
The canonical SMILES for 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran is C=C(/C(C)=C(\C)c1ccc2sc3ccccc3c2c1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran?
The InChIKey is GNEDOUDWQIZDAL-CZIZESTLSA-N. The full InChI is InChI=1S/C30H22OS/c1-18(19(2)21-12-14-28-25(16-21)23-8-4-6-10-27(23)31-28)20(3)22-13-15-30-26(17-22)24-9-5-7-11-29(24)32-30/h4-17H,2H2,1,3H3/b20-18+.
What are the key properties of 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran?
2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran has a molecular weight of 430.57 g/mol, XLogP of 9.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-4-dibenzothiophen-2-yl-3-methylpenta-1,3-dien-2-yl]dibenzofuran is sourced from PubChem (CID 163588047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).