2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline

C109H85Cl3N6 — CID 163574767

IUPAC2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline
SMILESC.Clc1c(N(c2cccc(-c3ccccc3)c2)c2cccc(-c3ccccc3)c2)cccc1N(c1ccccc1)c1cccc(N(c2ccccc2)c2ccccc2)c1.Clc1cccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)c1Cl.c1ccc(-c2cccc(Nc3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H40ClN3.C30H22Cl2N2.C24H19N.CH4/c55-54-52(57(47-30-14-5-15-31-47)51-35-18-34-50(40-51)56(45-26-10-3-11-27-45)46-28-12-4-13-29-46)36-19-37-53(54)58(48-32-16-24-43(38-48)41-20-6-1-7-21-41)49-33-17-25-44(39-49)42-22-8-2-9-23-42;31-28-20-11-21-29(30(28)32)34(25-16-8-3-9-17-25)27-19-10-18-26(22-27)33(23-12-4-1-5-13-23)24-14-6-2-7-15-24;1-3-9-19(10-4-1)21-13-7-15-23(17-21)25-24-16-8-14-22(18-24)20-11-5-2-6-12-20;/h1-40H;1-22H;1-18,25H;1H4
InChIKeyGCMQIHWKGLHXJQ-UHFFFAOYSA-N
MW1585.28 g/mol
LogP33.42
Rot. Bonds21

About 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline

2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 163574767) has the molecular formula C109H85Cl3N6 and a molecular weight of 1585.28 g/mol. Its IUPAC name is 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline
PubChem CID163574767
Molecular FormulaC109H85Cl3N6
Molecular Weight1585.28 g/mol
Exact Mass1582.59
IUPAC Name2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline
SMILESC.Clc1c(N(c2cccc(-c3ccccc3)c2)c2cccc(-c3ccccc3)c2)cccc1N(c1ccccc1)c1cccc(N(c2ccccc2)c2ccccc2)c1.Clc1cccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)c1Cl.c1ccc(-c2cccc(Nc3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C54H40ClN3.C30H22Cl2N2.C24H19N.CH4/c55-54-52(57(47-30-14-5-15-31-47)51-35-18-34-50(40-51)56(45-26-10-3-11-27-45)46-28-12-4-13-29-46)36-19-37-53(54)58(48-32-16-24-43(38-48)41-20-6-1-7-21-41)49-33-17-25-44(39-49)42-22-8-2-9-23-42;31-28-20-11-21-29(30(28)32)34(25-16-8-3-9-17-25)27-19-10-18-26(22-27)33(23-12-4-1-5-13-23)24-14-6-2-7-15-24;1-3-9-19(10-4-1)21-13-7-15-23(17-21)25-24-16-8-14-22(18-24)20-11-5-2-6-12-20;/h1-40H;1-22H;1-18,25H;1H4
InChIKeyGCMQIHWKGLHXJQ-UHFFFAOYSA-N
XLogP33.42
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001585.28
LogP ≤ 533.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline with MolForge

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Related Compounds

3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
3-N-(1-benzofuran-3-yl)-2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 146643061
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
7-N,7-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,7-diamine
CID 131979998
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 134305211
N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 123790773
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline (CID 163574767) is 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline is C.Clc1c(N(c2cccc(-c3ccccc3)c2)c2cccc(-c3ccccc3)c2)cccc1N(c1ccccc1)c1cccc(N(c2ccccc2)c2ccccc2)c1.Clc1cccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3ccccc3)c2)c1Cl.c1ccc(-c2cccc(Nc3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is GCMQIHWKGLHXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40ClN3.C30H22Cl2N2.C24H19N.CH4/c55-54-52(57(47-30-14-5-15-31-47)51-35-18-34-50(40-51)56(45-26-10-3-11-27-45)46-28-12-4-13-29-46)36-19-37-53(54)58(48-32-16-24-43(38-48)41-20-6-1-7-21-41)49-33-17-25-44(39-49)42-22-8-2-9-23-42;31-28-20-11-21-29(30(28)32)34(25-16-8-3-9-17-25)27-19-10-18-26(22-27)33(23-12-4-1-5-13-23)24-14-6-2-7-15-24;1-3-9-19(10-4-1)21-13-7-15-23(17-21)25-24-16-8-14-22(18-24)20-11-5-2-6-12-20;/h1-40H;1-22H;1-18,25H;1H4.
What are the key properties of 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline?
2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline has a molecular weight of 1585.28 g/mol, XLogP of 33.42, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 163574767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).