4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride

C82H69Cl9N6O4S3 — CID 158269782

IUPAC4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride
SMILESCc1c(Sc2ccc(Cl)c(-c3ccc(N)cc3Cl)c2C)ccc(Cl)c1-c1ccc(N)cc1Cl.Cc1ccc(Sc2ccc(C)c(-c3ccc(N)cc3Cl)c2C)c(C)c1-c1ccc(N)cc1Cl.Cc1ccc(Sc2ccc(C)c(-c3ccc([N+](=O)[O-])cc3Cl)c2C)c(C)c1-c1ccc([N+](=O)[O-])cc1Cl.Cl
InChIInChI=1S/C28H22Cl2N2O4S.C28H26Cl2N2S.C26H20Cl4N2S.ClH/c1-15-5-11-25(17(3)27(15)21-9-7-19(31(33)34)13-23(21)29)37-26-12-6-16(2)28(18(26)4)22-10-8-20(32(35)36)14-24(22)30;1-15-5-11-25(17(3)27(15)21-9-7-19(31)13-23(21)29)33-26-12-6-16(2)28(18(26)4)22-10-8-20(32)14-24(22)30;1-13-23(9-7-19(27)25(13)17-5-3-15(31)11-21(17)29)33-24-10-8-20(28)26(14(24)2)18-6-4-16(32)12-22(18)30;/h5-14H,1-4H3;5-14H,31-32H2,1-4H3;3-12H,31-32H2,1-2H3;1H
InChIKeyPLFKNRNOCBJCMV-UHFFFAOYSA-N
MW1617.77 g/mol
LogP28.39
Rot. Bonds14

About 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride

4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride (PubChem CID 158269782) has the molecular formula C82H69Cl9N6O4S3 and a molecular weight of 1617.77 g/mol. Its IUPAC name is 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride.

Molecular Properties

Compound Name4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride
PubChem CID158269782
Molecular FormulaC82H69Cl9N6O4S3
Molecular Weight1617.77 g/mol
Exact Mass1612.17
IUPAC Name4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride
SMILESCc1c(Sc2ccc(Cl)c(-c3ccc(N)cc3Cl)c2C)ccc(Cl)c1-c1ccc(N)cc1Cl.Cc1ccc(Sc2ccc(C)c(-c3ccc(N)cc3Cl)c2C)c(C)c1-c1ccc(N)cc1Cl.Cc1ccc(Sc2ccc(C)c(-c3ccc([N+](=O)[O-])cc3Cl)c2C)c(C)c1-c1ccc([N+](=O)[O-])cc1Cl.Cl
InChIInChI=1S/C28H22Cl2N2O4S.C28H26Cl2N2S.C26H20Cl4N2S.ClH/c1-15-5-11-25(17(3)27(15)21-9-7-19(31(33)34)13-23(21)29)37-26-12-6-16(2)28(18(26)4)22-10-8-20(32(35)36)14-24(22)30;1-15-5-11-25(17(3)27(15)21-9-7-19(31)13-23(21)29)33-26-12-6-16(2)28(18(26)4)22-10-8-20(32)14-24(22)30;1-13-23(9-7-19(27)25(13)17-5-3-15(31)11-21(17)29)33-24-10-8-20(28)26(14(24)2)18-6-4-16(32)12-22(18)30;/h5-14H,1-4H3;5-14H,31-32H2,1-4H3;3-12H,31-32H2,1-2H3;1H
InChIKeyPLFKNRNOCBJCMV-UHFFFAOYSA-N
XLogP28.39
TPSA190.36 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001617.77
LogP ≤ 528.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride with MolForge

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Related Compounds

4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dichlorophenyl]sulfanyl-2,6-dichlorophenyl]-3-chloroaniline;1,3-dichloro-2-(2-chloro-4-nitrophenyl)-4-[2,4-dichloro-3-(2-chloro-4-nitrophenyl)phenyl]sulfanylbenzene
CID 161293941
2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide
CID 175916041
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
3-chloro-4-[2-chloro-3-(2-chloro-4-nitrophenyl)-4-(dimethylamino)phenyl]sulfanyl-2-(2-chloro-4-nitrophenyl)-N,N-dimethylaniline;4-chloro-5-[2,6-dichloro-3-[2,4-dichloro-3-[2-chloro-5-(methylamino)-4-nitrophenyl]phenyl]sulfanylphenyl]-N-methyl-2-nitroaniline
CID 159028988
1,2,4-trichloro-5-(2-chloro-4-nitrophenyl)benzene
CID 134628529
2-(2-methylphenyl)sulfanyl-5-nitroaniline
CID 55080116
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
3-chloro-4-[(2-methoxy-5-nitrophenyl)methylsulfanyl]aniline
CID 43305426
methane;1,3,5-trimethyl-2-(4-nitrophenyl)benzene;4-(2,4,6-trimethylphenyl)aniline;hydrochloride
CID 159571615
4-chloro-3-[(4-nitrophenyl)methylsulfanyl]aniline
CID 79134517
7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine
CID 102316953
1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
CID 23565474

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride?
The IUPAC name of 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride (CID 158269782) is 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride.
What is the SMILES notation for 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride?
The canonical SMILES for 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride is Cc1c(Sc2ccc(Cl)c(-c3ccc(N)cc3Cl)c2C)ccc(Cl)c1-c1ccc(N)cc1Cl.Cc1ccc(Sc2ccc(C)c(-c3ccc(N)cc3Cl)c2C)c(C)c1-c1ccc(N)cc1Cl.Cc1ccc(Sc2ccc(C)c(-c3ccc([N+](=O)[O-])cc3Cl)c2C)c(C)c1-c1ccc([N+](=O)[O-])cc1Cl.Cl.
What is the InChIKey of 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride?
The InChIKey is PLFKNRNOCBJCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N2O4S.C28H26Cl2N2S.C26H20Cl4N2S.ClH/c1-15-5-11-25(17(3)27(15)21-9-7-19(31(33)34)13-23(21)29)37-26-12-6-16(2)28(18(26)4)22-10-8-20(32(35)36)14-24(22)30;1-15-5-11-25(17(3)27(15)21-9-7-19(31)13-23(21)29)33-26-12-6-16(2)28(18(26)4)22-10-8-20(32)14-24(22)30;1-13-23(9-7-19(27)25(13)17-5-3-15(31)11-21(17)29)33-24-10-8-20(28)26(14(24)2)18-6-4-16(32)12-22(18)30;/h5-14H,1-4H3;5-14H,31-32H2,1-4H3;3-12H,31-32H2,1-2H3;1H.
What are the key properties of 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride?
4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride has a molecular weight of 1617.77 g/mol, XLogP of 28.39, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-amino-2-chlorophenyl)-4-chloro-2-methylphenyl]sulfanyl-6-chloro-2-methylphenyl]-3-chloroaniline;4-[3-[3-(4-amino-2-chlorophenyl)-2,4-dimethylphenyl]sulfanyl-2,6-dimethylphenyl]-3-chloroaniline;3-(2-chloro-4-nitrophenyl)-1-[3-(2-chloro-4-nitrophenyl)-2,4-dimethylphenyl]sulfanyl-2,4-dimethylbenzene;hydrochloride is sourced from PubChem (CID 158269782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).