(Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile

C77H64Cl4N8 — CID 158610326

IUPAC(Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C/c2cn(CCCc3ccc(Cl)cc3)c3cc(Cl)ccc23)cc1.Cc1ccc(/C(C#N)=C/c2cn(CCCc3ccccc3)c3cc(Cl)ccc23)cc1.Cc1ccc(/C(C#N)=C/c2cn(Cc3cnn(C)c3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C27H22Cl2N2.C27H23ClN2.C23H19ClN4/c1-19-4-8-21(9-5-19)22(17-30)15-23-18-31(27-16-25(29)12-13-26(23)27)14-2-3-20-6-10-24(28)11-7-20;1-20-9-11-22(12-10-20)23(18-29)16-24-19-30(27-17-25(28)13-14-26(24)27)15-5-8-21-6-3-2-4-7-21;1-16-3-5-18(6-4-16)19(11-25)9-20-15-28(14-17-12-26-27(2)13-17)23-10-21(24)7-8-22(20)23/h4-13,15-16,18H,2-3,14H2,1H3;2-4,6-7,9-14,16-17,19H,5,8,15H2,1H3;3-10,12-13,15H,14H2,1-2H3/b22-15+;23-16+;19-9+
InChIKeyHWTHWUAMLMIKPZ-SLNOULCLSA-N
MW1243.23 g/mol
LogP20.70
Rot. Bonds16

About (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile

(Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile (PubChem CID 158610326) has the molecular formula C77H64Cl4N8 and a molecular weight of 1243.23 g/mol. Its IUPAC name is (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile
PubChem CID158610326
Molecular FormulaC77H64Cl4N8
Molecular Weight1243.23 g/mol
Exact Mass1240.40
IUPAC Name(Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C/c2cn(CCCc3ccc(Cl)cc3)c3cc(Cl)ccc23)cc1.Cc1ccc(/C(C#N)=C/c2cn(CCCc3ccccc3)c3cc(Cl)ccc23)cc1.Cc1ccc(/C(C#N)=C/c2cn(Cc3cnn(C)c3)c3cc(Cl)ccc23)cc1
InChIInChI=1S/C27H22Cl2N2.C27H23ClN2.C23H19ClN4/c1-19-4-8-21(9-5-19)22(17-30)15-23-18-31(27-16-25(29)12-13-26(23)27)14-2-3-20-6-10-24(28)11-7-20;1-20-9-11-22(12-10-20)23(18-29)16-24-19-30(27-17-25(28)13-14-26(24)27)15-5-8-21-6-3-2-4-7-21;1-16-3-5-18(6-4-16)19(11-25)9-20-15-28(14-17-12-26-27(2)13-17)23-10-21(24)7-8-22(20)23/h4-13,15-16,18H,2-3,14H2,1H3;2-4,6-7,9-14,16-17,19H,5,8,15H2,1H3;3-10,12-13,15H,14H2,1-2H3/b22-15+;23-16+;19-9+
InChIKeyHWTHWUAMLMIKPZ-SLNOULCLSA-N
XLogP20.70
TPSA103.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001243.23
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile with MolForge

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Related Compounds

3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 25223544
3-[[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-(1-ethyl-2-phenylindol-3-yl)methyl]-1-ethyl-2-phenylindole
CID 44419627
1-[[1-[(4-Chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]-phenylmethyl]indole
CID 44511356
3-[(4-Chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole
CID 44583476
1-[[1-[(4-Chlorophenyl)methyl]triazol-4-yl]methyl]-3-[[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-methylindol-3-yl]-phenylmethyl]-2-methylindole
CID 44583481
1-[(1-Benzyltriazol-4-yl)methyl]-3-[[1-[(1-benzyltriazol-4-yl)methyl]-2-methylindol-3-yl]-(4-chlorophenyl)methyl]-2-methylindole
CID 44583483
3-[(4-Chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-methylindol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-methylindole
CID 44583484
(Z)-2-[3-[bis(1H-pyrazol-4-ylmethyl)amino]phenyl]-3-[6-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 122515990
carbonyl difluoride;(Z)-3-[6-chloro-1-[(2-fluorophenyl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[[2-(trifluoromethyl)phenyl]methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 157913557
(Z)-3-[6-chloro-1-[2-(4-fluorophenyl)ethyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 160871646
2-[3-[bis(1H-pyrazol-4-ylmethyl)amino]phenyl]-3-[6-chloro-1-[(4-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 173648405
3,6-Dichloro-9-[[1-[4-[4-[(3,6-dichlorocarbazol-9-yl)methyl]triazol-1-yl]phenyl]triazol-4-yl]methyl]carbazole
CID 139228352

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile (CID 158610326) is (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile is Cc1ccc(/C(C#N)=C/c2cn(CCCc3ccc(Cl)cc3)c3cc(Cl)ccc23)cc1.Cc1ccc(/C(C#N)=C/c2cn(CCCc3ccccc3)c3cc(Cl)ccc23)cc1.Cc1ccc(/C(C#N)=C/c2cn(Cc3cnn(C)c3)c3cc(Cl)ccc23)cc1.
What is the InChIKey of (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile?
The InChIKey is HWTHWUAMLMIKPZ-SLNOULCLSA-N. The full InChI is InChI=1S/C27H22Cl2N2.C27H23ClN2.C23H19ClN4/c1-19-4-8-21(9-5-19)22(17-30)15-23-18-31(27-16-25(29)12-13-26(23)27)14-2-3-20-6-10-24(28)11-7-20;1-20-9-11-22(12-10-20)23(18-29)16-24-19-30(27-17-25(28)13-14-26(24)27)15-5-8-21-6-3-2-4-7-21;1-16-3-5-18(6-4-16)19(11-25)9-20-15-28(14-17-12-26-27(2)13-17)23-10-21(24)7-8-22(20)23/h4-13,15-16,18H,2-3,14H2,1H3;2-4,6-7,9-14,16-17,19H,5,8,15H2,1H3;3-10,12-13,15H,14H2,1-2H3/b22-15+;23-16+;19-9+.
What are the key properties of (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile?
(Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile has a molecular weight of 1243.23 g/mol, XLogP of 20.70, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[6-chloro-1-[3-(4-chlorophenyl)propyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-[(1-methylpyrazol-4-yl)methyl]indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile;(Z)-3-[6-chloro-1-(3-phenylpropyl)indol-3-yl]-2-(4-methylphenyl)prop-2-enenitrile is sourced from PubChem (CID 158610326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).