3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile

C26H20N2 — CID 144604962

IUPAC3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C26H20N2/c1-3-8-23-24-11-5-6-12-26(24)28(25(23)4-2)22-15-13-20(14-16-22)21-10-7-9-19(17-21)18-27/h3-17H,2H2,1H3/b8-3-
InChIKeyXNGOPNAIGCLVRZ-BAQGIRSFSA-N
MW360.46 g/mol
LogP6.85
Rot. Bonds4

About 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile

3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile (PubChem CID 144604962) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
PubChem CID144604962
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C26H20N2/c1-3-8-23-24-11-5-6-12-26(24)28(25(23)4-2)22-15-13-20(14-16-22)21-10-7-9-19(17-21)18-27/h3-17H,2H2,1H3/b8-3-
InChIKeyXNGOPNAIGCLVRZ-BAQGIRSFSA-N
XLogP6.85
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
9-[9-[4-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-6-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-3-yl]carbazole-3-carbonitrile
CID 155022535
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086269
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
9-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile
CID 167006494
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 89302416
9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile
CID 144923035
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile?
The IUPAC name of 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile (CID 144604962) is 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile is C=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(-c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile?
The InChIKey is XNGOPNAIGCLVRZ-BAQGIRSFSA-N. The full InChI is InChI=1S/C26H20N2/c1-3-8-23-24-11-5-6-12-26(24)28(25(23)4-2)22-15-13-20(14-16-22)21-10-7-9-19(17-21)18-27/h3-17H,2H2,1H3/b8-3-.
What are the key properties of 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile?
3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile has a molecular weight of 360.46 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 144604962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).