(5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione

C28H19N3O5S — CID 58659844

IUPAC(5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione
SMILESCN1C(=O)O/C(=C/c2ccc3c(c2)c2cc(/C=C4/OC(=S)N(C)C4=O)ccc2n3-c2ccccc2)C1=O
InChIInChI=1S/C28H19N3O5S/c1-29-25(32)23(35-27(29)34)14-16-8-10-21-19(12-16)20-13-17(15-24-26(33)30(2)28(37)36-24)9-11-22(20)31(21)18-6-4-3-5-7-18/h3-15H,1-2H3/b23-14+,24-15+
InChIKeyQQTHEMYYUFVWHO-OZEVPFDHSA-N
MW509.54 g/mol
LogP4.85
Rot. Bonds3

About (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione

(5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 58659844) has the molecular formula C28H19N3O5S and a molecular weight of 509.54 g/mol. Its IUPAC name is (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione
PubChem CID58659844
Molecular FormulaC28H19N3O5S
Molecular Weight509.54 g/mol
Exact Mass509.10
IUPAC Name(5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione
SMILESCN1C(=O)O/C(=C/c2ccc3c(c2)c2cc(/C=C4/OC(=S)N(C)C4=O)ccc2n3-c2ccccc2)C1=O
InChIInChI=1S/C28H19N3O5S/c1-29-25(32)23(35-27(29)34)14-16-8-10-21-19(12-16)20-13-17(15-24-26(33)30(2)28(37)36-24)9-11-22(20)31(21)18-6-4-3-5-7-18/h3-15H,1-2H3/b23-14+,24-15+
InChIKeyQQTHEMYYUFVWHO-OZEVPFDHSA-N
XLogP4.85
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
CID 76826435
(5E)-5-[(3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 2259996
3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 72540252
(5E)-3-[2-(4-phenoxyphenyl)ethyl]-5-[(9-prop-2-enylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 58785625
2-[(5Z)-5-[[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 59685458
2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzaldehyde
CID 88914523
1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione
CID 118655509
(5E)-3-ethyl-5-[(9-ethylcarbazol-3-yl)methylidene]-2-phenylimino-1,3-oxazolidin-4-one
CID 58958967
3-(2,2-difluoroethenyl)-9-phenylcarbazole
CID 169248919
ethyl 2-[[1,3-dibutyl-4,6-dioxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-diazinan-2-ylidene]amino]benzoate
CID 58587358
6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
(5E)-3-[(4-ethoxyphenyl)methyl]-5-[(9-ethylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
CID 58785600

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione (CID 58659844) is (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione is CN1C(=O)O/C(=C/c2ccc3c(c2)c2cc(/C=C4/OC(=S)N(C)C4=O)ccc2n3-c2ccccc2)C1=O.
What is the InChIKey of (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is QQTHEMYYUFVWHO-OZEVPFDHSA-N. The full InChI is InChI=1S/C28H19N3O5S/c1-29-25(32)23(35-27(29)34)14-16-8-10-21-19(12-16)20-13-17(15-24-26(33)30(2)28(37)36-24)9-11-22(20)31(21)18-6-4-3-5-7-18/h3-15H,1-2H3/b23-14+,24-15+.
What are the key properties of (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione?
(5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 509.54 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 58659844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).