2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile

C34H25N3 — CID 70342248

IUPAC2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile
SMILESN#CCc1ccc2ccn(C(c3ccccc3)c3cccc(C=Cc4ccc5ccccc5n4)c3)c2c1
InChIInChI=1S/C34H25N3/c35-21-19-26-13-15-28-20-22-37(33(28)24-26)34(29-9-2-1-3-10-29)30-11-6-7-25(23-30)14-17-31-18-16-27-8-4-5-12-32(27)36-31/h1-18,20,22-24,34H,19H2
InChIKeyVSYQWJDPTNKBOA-UHFFFAOYSA-N
MW475.60 g/mol
LogP8.06
Rot. Bonds6

About 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile

2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile (PubChem CID 70342248) has the molecular formula C34H25N3 and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile
PubChem CID70342248
Molecular FormulaC34H25N3
Molecular Weight475.60 g/mol
Exact Mass475.20
IUPAC Name2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile
SMILESN#CCc1ccc2ccn(C(c3ccccc3)c3cccc(C=Cc4ccc5ccccc5n4)c3)c2c1
InChIInChI=1S/C34H25N3/c35-21-19-26-13-15-28-20-22-37(33(28)24-26)34(29-9-2-1-3-10-29)30-11-6-7-25(23-30)14-17-31-18-16-27-8-4-5-12-32(27)36-31/h1-18,20,22-24,34H,19H2
InChIKeyVSYQWJDPTNKBOA-UHFFFAOYSA-N
XLogP8.06
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[7-(cyanomethoxy)indol-1-yl]-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]methyl]benzonitrile
CID 70342537
2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride
CID 19102588
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline
CID 70341431
2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
1-benzhydryl-6-chloroindole
CID 11580537
7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline
CID 70341447
4-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]butanoic acid
CID 10019718
2-(2-thiophen-3-ylethenyl)quinoline
CID 3618780
CID 67894241
CID 67894241
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
(4R)-3-benzyl-4-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-2-methyl-4-sulfanylbutan-2-ol
CID 173074317

Frequently Asked Questions

What is the IUPAC name of 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile?
The IUPAC name of 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile (CID 70342248) is 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile.
What is the SMILES notation for 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile?
The canonical SMILES for 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile is N#CCc1ccc2ccn(C(c3ccccc3)c3cccc(C=Cc4ccc5ccccc5n4)c3)c2c1.
What is the InChIKey of 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile?
The InChIKey is VSYQWJDPTNKBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3/c35-21-19-26-13-15-28-20-22-37(33(28)24-26)34(29-9-2-1-3-10-29)30-11-6-7-25(23-30)14-17-31-18-16-27-8-4-5-12-32(27)36-31/h1-18,20,22-24,34H,19H2.
What are the key properties of 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile?
2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile has a molecular weight of 475.60 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[phenyl-[3-(2-quinolin-2-ylethenyl)phenyl]methyl]indol-6-yl]acetonitrile is sourced from PubChem (CID 70342248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).