2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile

C147H130Cl2N16O7 — CID 159958466

IUPAC2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N3CCCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(-c3ccoc3)ccc21
InChIInChI=1S/C25H25N3O.C24H24N2O.C22H21N3O.C21H18N2O.2C20H15ClN2O.C15H12N2O/c1-3-28-24(23(18-26)22-13-12-21(29-2)17-25(22)28)14-9-19-7-10-20(11-8-19)27-15-5-4-6-16-27;1-6-26-22(14-9-17-7-10-18(11-8-17)24(2,3)4)21(16-25)20-13-12-19(27-5)15-23(20)26;1-5-25-21(13-8-16-6-9-17(10-7-16)24(2)3)20(15-23)19-12-11-18(26-4)14-22(19)25;1-4-23-20(11-8-16-7-5-6-15(2)12-16)19(14-22)18-10-9-17(24-3)13-21(18)23;1-3-23-19(11-6-14-4-7-15(21)8-5-14)18(13-22)17-10-9-16(24-2)12-20(17)23;1-3-23-19(10-7-14-5-4-6-15(21)11-14)18(13-22)17-9-8-16(24-2)12-20(17)23;1-2-17-9-13(8-16)14-7-11(3-4-15(14)17)12-5-6-18-10-12/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;6-7,9-12,14H,5H2,1-4H3;5-7,9-10,12-13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-7,9-10H,2H2,1H3
InChIKeyODABEYYKJKUQOH-UHFFFAOYSA-N
MW2303.67 g/mol
LogP31.41
Rot. Bonds16

About 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile

2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile (PubChem CID 159958466) has the molecular formula C147H130Cl2N16O7 and a molecular weight of 2303.67 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
PubChem CID159958466
Molecular FormulaC147H130Cl2N16O7
Molecular Weight2303.67 g/mol
Exact Mass2300.97
IUPAC Name2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N3CCCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(-c3ccoc3)ccc21
InChIInChI=1S/C25H25N3O.C24H24N2O.C22H21N3O.C21H18N2O.2C20H15ClN2O.C15H12N2O/c1-3-28-24(23(18-26)22-13-12-21(29-2)17-25(22)28)14-9-19-7-10-20(11-8-19)27-15-5-4-6-16-27;1-6-26-22(14-9-17-7-10-18(11-8-17)24(2,3)4)21(16-25)20-13-12-19(27-5)15-23(20)26;1-5-25-21(13-8-16-6-9-17(10-7-16)24(2)3)20(15-23)19-12-11-18(26-4)14-22(19)25;1-4-23-20(11-8-16-7-5-6-15(2)12-16)19(14-22)18-10-9-17(24-3)13-21(18)23;1-3-23-19(11-6-14-4-7-15(21)8-5-14)18(13-22)17-10-9-16(24-2)12-20(17)23;1-3-23-19(10-7-14-5-4-6-15(21)11-14)18(13-22)17-9-8-16(24-2)12-20(17)23;1-2-17-9-13(8-16)14-7-11(3-4-15(14)17)12-5-6-18-10-12/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;6-7,9-12,14H,5H2,1-4H3;5-7,9-10,12-13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-7,9-10H,2H2,1H3
InChIKeyODABEYYKJKUQOH-UHFFFAOYSA-N
XLogP31.41
TPSA276.04 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002303.67
LogP ≤ 531.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile with MolForge

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Related Compounds

2-[2-(4-Tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile
CID 157484795
2-[2-(4-Tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
CID 157602287
3-chloro-5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-N-phenyl-N-(4-phenylphenyl)aniline;3-chloro-5-[12-(3,5-diphenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]-N,N-diphenylaniline;3-chloro-N,N-diphenyl-5-(20-phenyl-9-oxa-5,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)aniline;N-[3-chloro-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)phenyl]-2,5-dimethyl-N,4-diphenylaniline;3-chloro-N-phenyl-5-[4-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158017117
3-Dibenzofuran-2-yl-9-(4-phenylphenyl)carbazole;3-(8-phenyldibenzofuran-2-yl)-9-(4-phenylphenyl)carbazole;4-[8-[9-(4-phenylphenyl)carbazol-3-yl]dibenzofuran-2-yl]benzonitrile;9-(4-phenylphenyl)-3-(8-pyridin-2-yldibenzofuran-2-yl)carbazole
CID 158439993
3-Dibenzofuran-2-yl-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(8-phenyldibenzofuran-2-yl)-9-(4-phenylphenyl)carbazole;4-[8-[9-(4-phenylphenyl)carbazol-3-yl]dibenzofuran-2-yl]benzonitrile;9-(4-phenylphenyl)-3-(8-pyridin-2-yldibenzofuran-2-yl)carbazole
CID 158447868
2-[2-(4-Tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
CID 158965139
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-dibenzofuran-2-ylbenzonitrile;3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-dibenzofuran-2-ylbenzonitrile;4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-dibenzofuran-2-ylbenzonitrile;2-carbazol-9-yl-3-dibenzofuran-2-yl-6-pyridin-4-ylbenzonitrile
CID 159103812
2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
CID 159332478
2-[2-(4-Tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
CID 160146087
3-(9-Phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;4-[8-[9-(4-phenylphenyl)carbazol-3-yl]dibenzofuran-2-yl]benzonitrile;9-(4-phenylphenyl)-3-(8-pyridin-2-yldibenzofuran-2-yl)carbazole
CID 160958054
3-Dibenzofuran-2-yl-9-(4-phenylphenyl)carbazole;3-(8-phenyldibenzofuran-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenyldibenzofuran-2-yl)-9-(4-phenylphenyl)carbazole;4-[8-[9-(4-phenylphenyl)carbazol-3-yl]dibenzofuran-2-yl]benzonitrile;9-(4-phenylphenyl)-3-(8-pyridin-2-yldibenzofuran-2-yl)carbazole
CID 161256964
2-[2-(4-Tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile
CID 161629564

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile?
The IUPAC name of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile (CID 159958466) is 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile is CCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(Cl)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(N3CCCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(Cl)c2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(-c3ccoc3)ccc21.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile?
The InChIKey is ODABEYYKJKUQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O.C24H24N2O.C22H21N3O.C21H18N2O.2C20H15ClN2O.C15H12N2O/c1-3-28-24(23(18-26)22-13-12-21(29-2)17-25(22)28)14-9-19-7-10-20(11-8-19)27-15-5-4-6-16-27;1-6-26-22(14-9-17-7-10-18(11-8-17)24(2,3)4)21(16-25)20-13-12-19(27-5)15-23(20)26;1-5-25-21(13-8-16-6-9-17(10-7-16)24(2)3)20(15-23)19-12-11-18(26-4)14-22(19)25;1-4-23-20(11-8-16-7-5-6-15(2)12-16)19(14-22)18-10-9-17(24-3)13-21(18)23;1-3-23-19(11-6-14-4-7-15(21)8-5-14)18(13-22)17-10-9-16(24-2)12-20(17)23;1-3-23-19(10-7-14-5-4-6-15(21)11-14)18(13-22)17-9-8-16(24-2)12-20(17)23;1-2-17-9-13(8-16)14-7-11(3-4-15(14)17)12-5-6-18-10-12/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;6-7,9-12,14H,5H2,1-4H3;5-7,9-10,12-13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-7,9-10H,2H2,1H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile?
2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile has a molecular weight of 2303.67 g/mol, XLogP of 31.41, 16 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile is sourced from PubChem (CID 159958466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).