benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole

C57H48Cl3N3 — CID 158960873

IUPACbenzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole
SMILESCc1c(C)n(-c2cccc(Cl)c2Cl)c2ccccc12.Cc1c(C)n(-c2cccc(N(c3ccccc3)c3ccccc3)c2Cl)c2ccccc12.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C28H23ClN2.C16H13Cl2N.C13H12/c1-20-21(2)30(25-17-10-9-16-24(20)25)26-18-11-19-27(28(26)29)31(22-12-5-3-6-13-22)23-14-7-4-8-15-23;1-10-11(2)19(14-8-4-3-6-12(10)14)15-9-5-7-13(17)16(15)18;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h3-19H,1-2H3;3-9H,1-2H3;1-10H,11H2
InChIKeyJMPIGYUZUDHBRO-UHFFFAOYSA-N
MW881.39 g/mol
LogP17.20
Rot. Bonds7

About benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole

benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole (PubChem CID 158960873) has the molecular formula C57H48Cl3N3 and a molecular weight of 881.39 g/mol. Its IUPAC name is benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole.

Molecular Properties

Compound Namebenzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole
PubChem CID158960873
Molecular FormulaC57H48Cl3N3
Molecular Weight881.39 g/mol
Exact Mass879.29
IUPAC Namebenzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole
SMILESCc1c(C)n(-c2cccc(Cl)c2Cl)c2ccccc12.Cc1c(C)n(-c2cccc(N(c3ccccc3)c3ccccc3)c2Cl)c2ccccc12.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C28H23ClN2.C16H13Cl2N.C13H12/c1-20-21(2)30(25-17-10-9-16-24(20)25)26-18-11-19-27(28(26)29)31(22-12-5-3-6-13-22)23-14-7-4-8-15-23;1-10-11(2)19(14-8-4-3-6-12(10)14)15-9-5-7-13(17)16(15)18;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h3-19H,1-2H3;3-9H,1-2H3;1-10H,11H2
InChIKeyJMPIGYUZUDHBRO-UHFFFAOYSA-N
XLogP17.20
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.39
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole with MolForge

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

Launch Full Analysis

Related Compounds

1-bromo-2,3-dichlorobenzene;1-(2,3-dichlorophenyl)-2,3-dimethylindole;2,3-dimethyl-1H-indole
CID 165025513
2-carbazol-9-yl-N,N-diphenylaniline
CID 66650204
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59184226
1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole
CID 155244032
2-chloro-1-N,3-N-diphenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 118220371
3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine
CID 164801685
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine;N-(2,3-dichlorophenyl)-N-phenyl-1-benzofuran-3-amine;5H-pyrido[4,3-b]indole
CID 165047294
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-yl-3,4-diphenylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(3,4-diphenylphenyl)naphthalen-1-amine;N-[4-[5-[2,3-dimethyl-1-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N,4-diphenylnaphthalen-1-amine;N-[4-[5-[2,3-dimethyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158026844
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061420

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole?
The IUPAC name of benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole (CID 158960873) is benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole.
What is the SMILES notation for benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole?
The canonical SMILES for benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole is Cc1c(C)n(-c2cccc(Cl)c2Cl)c2ccccc12.Cc1c(C)n(-c2cccc(N(c3ccccc3)c3ccccc3)c2Cl)c2ccccc12.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole?
The InChIKey is JMPIGYUZUDHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2.C16H13Cl2N.C13H12/c1-20-21(2)30(25-17-10-9-16-24(20)25)26-18-11-19-27(28(26)29)31(22-12-5-3-6-13-22)23-14-7-4-8-15-23;1-10-11(2)19(14-8-4-3-6-12(10)14)15-9-5-7-13(17)16(15)18;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h3-19H,1-2H3;3-9H,1-2H3;1-10H,11H2.
What are the key properties of benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole?
benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole has a molecular weight of 881.39 g/mol, XLogP of 17.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole is sourced from PubChem (CID 158960873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).