(E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile

C38H34N2Si2 — CID 99773007

IUPAC(E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile
SMILESC[Si](C)(C)C#Cc1ccc(/C=C(\C#N)c2ccc3ccc(/C(C#N)=C\c4ccc(C#C[Si](C)(C)C)cc4)cc3c2)cc1
InChIInChI=1S/C38H34N2Si2/c1-41(2,3)21-19-29-7-11-31(12-8-29)23-37(27-39)34-17-15-33-16-18-35(26-36(33)25-34)38(28-40)24-32-13-9-30(10-14-32)20-22-42(4,5)6/h7-18,23-26H,1-6H3/b37-23-,38-24+
InChIKeyUOSQMNGQQAUSRQ-YEITWXIVSA-N
MW574.88 g/mol
LogP9.43
Rot. Bonds4

About (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile

(E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile (PubChem CID 99773007) has the molecular formula C38H34N2Si2 and a molecular weight of 574.88 g/mol. Its IUPAC name is (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile
PubChem CID99773007
Molecular FormulaC38H34N2Si2
Molecular Weight574.88 g/mol
Exact Mass574.23
IUPAC Name(E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile
SMILESC[Si](C)(C)C#Cc1ccc(/C=C(\C#N)c2ccc3ccc(/C(C#N)=C\c4ccc(C#C[Si](C)(C)C)cc4)cc3c2)cc1
InChIInChI=1S/C38H34N2Si2/c1-41(2,3)21-19-29-7-11-31(12-8-29)23-37(27-39)34-17-15-33-16-18-35(26-36(33)25-34)38(28-40)24-32-13-9-30(10-14-32)20-22-42(4,5)6/h7-18,23-26H,1-6H3/b37-23-,38-24+
InChIKeyUOSQMNGQQAUSRQ-YEITWXIVSA-N
XLogP9.43
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.88
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile with MolForge

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Related Compounds

2-[[4-(2-trimethylsilylethynyl)phenyl]methylidene]propanedinitrile
CID 134112108
3-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3991442
3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
CID 3339582
(Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile
CID 157252511
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzonitrile
CID 10401953
(E)-3-[4-[(2S)-butan-2-yl]oxyphenyl]-2-naphthalen-2-ylprop-2-enenitrile
CID 124550850
4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
CID 935173
trimethyl(2-naphthalen-2-ylethynyl)silane
CID 12579656
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419
2-[4-[1-cyano-2-(3,4-dichlorophenyl)ethenyl]phenyl]-3-(3,4-dichlorophenyl)prop-2-enenitrile
CID 4089006
(Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
CID 118675612

Frequently Asked Questions

What is the IUPAC name of (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile?
The IUPAC name of (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile (CID 99773007) is (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile is C[Si](C)(C)C#Cc1ccc(/C=C(\C#N)c2ccc3ccc(/C(C#N)=C\c4ccc(C#C[Si](C)(C)C)cc4)cc3c2)cc1.
What is the InChIKey of (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile?
The InChIKey is UOSQMNGQQAUSRQ-YEITWXIVSA-N. The full InChI is InChI=1S/C38H34N2Si2/c1-41(2,3)21-19-29-7-11-31(12-8-29)23-37(27-39)34-17-15-33-16-18-35(26-36(33)25-34)38(28-40)24-32-13-9-30(10-14-32)20-22-42(4,5)6/h7-18,23-26H,1-6H3/b37-23-,38-24+.
What are the key properties of (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile?
(E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile has a molecular weight of 574.88 g/mol, XLogP of 9.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[7-[(Z)-1-cyano-2-[4-(2-trimethylsilylethynyl)phenyl]ethenyl]naphthalen-2-yl]-3-[4-(2-trimethylsilylethynyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 99773007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).