(4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one

C34H44N2O2Si2 — CID 171737232

IUPAC(4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one
SMILESC/C(C1=Nc2ccc([Si](C)(C)C)cc2C1(C)C)=C1/C(=O)C(/C(C)=C2/Nc3ccc([Si](C)(C)C)cc3C2(C)C)=C1O
InChIInChI=1S/C34H44N2O2Si2/c1-19(31-33(3,4)23-17-21(39(7,8)9)13-15-25(23)35-31)27-29(37)28(30(27)38)20(2)32-34(5,6)24-18-22(40(10,11)12)14-16-26(24)36-32/h13-18,35,37H,1-12H3/b28-20-,31-19+
InChIKeyRNKQYQQYIFGQST-GYDPCFKCSA-N
MW568.91 g/mol
LogP7.53
Rot. Bonds4

About (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one

(4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one (PubChem CID 171737232) has the molecular formula C34H44N2O2Si2 and a molecular weight of 568.91 g/mol. Its IUPAC name is (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one.

Molecular Properties

Compound Name(4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one
PubChem CID171737232
Molecular FormulaC34H44N2O2Si2
Molecular Weight568.91 g/mol
Exact Mass568.29
IUPAC Name(4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one
SMILESC/C(C1=Nc2ccc([Si](C)(C)C)cc2C1(C)C)=C1/C(=O)C(/C(C)=C2/Nc3ccc([Si](C)(C)C)cc3C2(C)C)=C1O
InChIInChI=1S/C34H44N2O2Si2/c1-19(31-33(3,4)23-17-21(39(7,8)9)13-15-25(23)35-31)27-29(37)28(30(27)38)20(2)32-34(5,6)24-18-22(40(10,11)12)14-16-26(24)36-32/h13-18,35,37H,1-12H3/b28-20-,31-19+
InChIKeyRNKQYQQYIFGQST-GYDPCFKCSA-N
XLogP7.53
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.91
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2,3-dihydro-1,3-benzothiazol-2-yl)ethylidene]-2-[1-(3,3-dimethyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one
CID 91245452
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CID 174208584
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CID 177492950
N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline
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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one?
The IUPAC name of (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one (CID 171737232) is (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one.
What is the SMILES notation for (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one?
The canonical SMILES for (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one is C/C(C1=Nc2ccc([Si](C)(C)C)cc2C1(C)C)=C1/C(=O)C(/C(C)=C2/Nc3ccc([Si](C)(C)C)cc3C2(C)C)=C1O.
What is the InChIKey of (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one?
The InChIKey is RNKQYQQYIFGQST-GYDPCFKCSA-N. The full InChI is InChI=1S/C34H44N2O2Si2/c1-19(31-33(3,4)23-17-21(39(7,8)9)13-15-25(23)35-31)27-29(37)28(30(27)38)20(2)32-34(5,6)24-18-22(40(10,11)12)14-16-26(24)36-32/h13-18,35,37H,1-12H3/b28-20-,31-19+.
What are the key properties of (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one?
(4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one has a molecular weight of 568.91 g/mol, XLogP of 7.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[1-(3,3-dimethyl-5-trimethylsilylindol-2-yl)ethylidene]-2-[(1E)-1-(3,3-dimethyl-5-trimethylsilyl-1H-indol-2-ylidene)ethyl]-3-hydroxycyclobut-2-en-1-one is sourced from PubChem (CID 171737232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).