6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole

C122H97ClF6N10O5 — CID 161331510

IUPAC6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole
SMILES[C-]#[N+]c1cc(C)c2c(c1)c(-c1cccc(C)c1C)cn2-c1ccc(OC)cc1.[C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1C.[C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1Cl.[C-]#[N+]c1ccc2c(c1)c(-c1cccc(C)c1C(F)(F)F)cn2-c1ccc(OC)cc1.[C-]#[N+]c1ccc2c(c1)c(-c1cccc(C)c1C)cn2-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C25H22N2O.C24H19ClN2O.2C24H17F3N2O/c1-16-7-6-8-22(18(16)3)24-15-27(20-9-11-21(28-5)12-10-20)25-17(2)13-19(26-4)14-23(24)25;1-16-7-6-8-21(18(16)3)23-15-27(19-9-11-20(28-5)12-10-19)25-13-17(2)24(26-4)14-22(23)25;1-15-6-5-7-19(16(15)2)21-14-27(17-8-10-18(28-4)11-9-17)24-13-22(25)23(26-3)12-20(21)24;1-15-5-4-6-19(23(15)24(25,26)27)21-14-29(17-8-10-18(30-3)11-9-17)22-12-7-16(28-2)13-20(21)22;1-15-5-4-6-20(16(15)2)22-14-29(23-12-7-17(28-3)13-21(22)23)18-8-10-19(11-9-18)30-24(25,26)27/h2*6-15H,1-3,5H3;5-14H,1-2,4H3;4-14H,1,3H3;4-14H,1-2H3
InChIKeyVLMBPNNRTYLGKD-UHFFFAOYSA-N
MW1932.62 g/mol
LogP35.24
Rot. Bonds15

About 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole

6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole (PubChem CID 161331510) has the molecular formula C122H97ClF6N10O5 and a molecular weight of 1932.62 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole
PubChem CID161331510
Molecular FormulaC122H97ClF6N10O5
Molecular Weight1932.62 g/mol
Exact Mass1930.72
IUPAC Name6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole
SMILES[C-]#[N+]c1cc(C)c2c(c1)c(-c1cccc(C)c1C)cn2-c1ccc(OC)cc1.[C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1C.[C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1Cl.[C-]#[N+]c1ccc2c(c1)c(-c1cccc(C)c1C(F)(F)F)cn2-c1ccc(OC)cc1.[C-]#[N+]c1ccc2c(c1)c(-c1cccc(C)c1C)cn2-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C25H22N2O.C24H19ClN2O.2C24H17F3N2O/c1-16-7-6-8-22(18(16)3)24-15-27(20-9-11-21(28-5)12-10-20)25-17(2)13-19(26-4)14-23(24)25;1-16-7-6-8-21(18(16)3)23-15-27(19-9-11-20(28-5)12-10-19)25-13-17(2)24(26-4)14-22(23)25;1-15-6-5-7-19(16(15)2)21-14-27(17-8-10-18(28-4)11-9-17)24-13-22(25)23(26-3)12-20(21)24;1-15-5-4-6-19(23(15)24(25,26)27)21-14-29(17-8-10-18(30-3)11-9-17)22-12-7-16(28-2)13-20(21)22;1-15-5-4-6-20(16(15)2)22-14-29(23-12-7-17(28-3)13-21(22)23)18-8-10-19(11-9-18)30-24(25,26)27/h2*6-15H,1-3,5H3;5-14H,1-2,4H3;4-14H,1,3H3;4-14H,1-2H3
InChIKeyVLMBPNNRTYLGKD-UHFFFAOYSA-N
XLogP35.24
TPSA92.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001932.62
LogP ≤ 535.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole?
The IUPAC name of 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole (CID 161331510) is 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole is [C-]#[N+]c1cc(C)c2c(c1)c(-c1cccc(C)c1C)cn2-c1ccc(OC)cc1.[C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1C.[C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1Cl.[C-]#[N+]c1ccc2c(c1)c(-c1cccc(C)c1C(F)(F)F)cn2-c1ccc(OC)cc1.[C-]#[N+]c1ccc2c(c1)c(-c1cccc(C)c1C)cn2-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole?
The InChIKey is VLMBPNNRTYLGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22N2O.C24H19ClN2O.2C24H17F3N2O/c1-16-7-6-8-22(18(16)3)24-15-27(20-9-11-21(28-5)12-10-20)25-17(2)13-19(26-4)14-23(24)25;1-16-7-6-8-21(18(16)3)23-15-27(19-9-11-20(28-5)12-10-19)25-13-17(2)24(26-4)14-22(23)25;1-15-6-5-7-19(16(15)2)21-14-27(17-8-10-18(28-4)11-9-17)24-13-22(25)23(26-3)12-20(21)24;1-15-5-4-6-19(23(15)24(25,26)27)21-14-29(17-8-10-18(30-3)11-9-17)22-12-7-16(28-2)13-20(21)22;1-15-5-4-6-20(16(15)2)22-14-29(23-12-7-17(28-3)13-21(22)23)18-8-10-19(11-9-18)30-24(25,26)27/h2*6-15H,1-3,5H3;5-14H,1-2,4H3;4-14H,1,3H3;4-14H,1-2H3.
What are the key properties of 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole?
6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole has a molecular weight of 1932.62 g/mol, XLogP of 35.24, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)indole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-7-methylindole;3-(2,3-dimethylphenyl)-5-isocyano-1-[4-(trifluoromethoxy)phenyl]indole;5-isocyano-1-(4-methoxyphenyl)-3-[3-methyl-2-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 161331510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).