[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride

C139H115Cl6N6O7SSb — CID 158427813

IUPAC[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(N(C)c3ccccc3)cc2)cc1.Cl[Sb](Cl)(Cl)(Cl)Cl.[Cl-].c1ccc([NH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C51H40N2O3.C50H40N2O4S.C20H19N.C18H15N.6ClH.Sb/c1-37-13-15-40(16-14-37)51(54)41-21-31-49(32-22-41)56-50-35-29-47(30-36-50)53(43-11-7-4-8-12-43)45-25-19-39(20-26-45)38-17-23-44(24-18-38)52(42-9-5-3-6-10-42)46-27-33-48(55-2)34-28-46;1-37-13-33-49(34-14-37)57(53,54)50-35-31-48(32-36-50)56-47-29-25-45(26-30-47)52(41-11-7-4-8-12-41)43-21-17-39(18-22-43)38-15-19-42(20-16-38)51(40-9-5-3-6-10-40)44-23-27-46(55-2)28-24-44;1-16-8-10-17(11-9-16)18-12-14-20(15-13-18)21(2)19-6-4-3-5-7-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h3-36H,1-2H3;3-36H,1-2H3;3-15H,1-2H3;1-15H;6*1H;/q;;;;;;;;;;+5/p-5
InChIKeyLIUXTZDIPZXHMR-UHFFFAOYSA-I
MW2348.03 g/mol
LogP36.24
Rot. Bonds30

About [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride

[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride (PubChem CID 158427813) has the molecular formula C139H115Cl6N6O7SSb and a molecular weight of 2348.03 g/mol. Its IUPAC name is [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride.

Molecular Properties

Compound Name[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride
PubChem CID158427813
Molecular FormulaC139H115Cl6N6O7SSb
Molecular Weight2348.03 g/mol
Exact Mass2342.57
IUPAC Name[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(N(C)c3ccccc3)cc2)cc1.Cl[Sb](Cl)(Cl)(Cl)Cl.[Cl-].c1ccc([NH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C51H40N2O3.C50H40N2O4S.C20H19N.C18H15N.6ClH.Sb/c1-37-13-15-40(16-14-37)51(54)41-21-31-49(32-22-41)56-50-35-29-47(30-36-50)53(43-11-7-4-8-12-43)45-25-19-39(20-26-45)38-17-23-44(24-18-38)52(42-9-5-3-6-10-42)46-27-33-48(55-2)34-28-46;1-37-13-33-49(34-14-37)57(53,54)50-35-31-48(32-36-50)56-47-29-25-45(26-30-47)52(41-11-7-4-8-12-41)43-21-17-39(18-22-43)38-15-19-42(20-16-38)51(40-9-5-3-6-10-40)44-23-27-46(55-2)28-24-44;1-16-8-10-17(11-9-16)18-12-14-20(15-13-18)21(2)19-6-4-3-5-7-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h3-36H,1-2H3;3-36H,1-2H3;3-15H,1-2H3;1-15H;6*1H;/q;;;;;;;;;;+5/p-5
InChIKeyLIUXTZDIPZXHMR-UHFFFAOYSA-I
XLogP36.24
TPSA108.77 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.03
LogP ≤ 536.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride?
The IUPAC name of [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride (CID 158427813) is [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride.
What is the SMILES notation for [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride?
The canonical SMILES for [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride is COc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(N(C)c3ccccc3)cc2)cc1.Cl[Sb](Cl)(Cl)(Cl)Cl.[Cl-].c1ccc([NH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride?
The InChIKey is LIUXTZDIPZXHMR-UHFFFAOYSA-I. The full InChI is InChI=1S/C51H40N2O3.C50H40N2O4S.C20H19N.C18H15N.6ClH.Sb/c1-37-13-15-40(16-14-37)51(54)41-21-31-49(32-22-41)56-50-35-29-47(30-36-50)53(43-11-7-4-8-12-43)45-25-19-39(20-26-45)38-17-23-44(24-18-38)52(42-9-5-3-6-10-42)46-27-33-48(55-2)34-28-46;1-37-13-33-49(34-14-37)57(53,54)50-35-31-48(32-36-50)56-47-29-25-45(26-30-47)52(41-11-7-4-8-12-41)43-21-17-39(18-22-43)38-15-19-42(20-16-38)51(40-9-5-3-6-10-40)44-23-27-46(55-2)28-24-44;1-16-8-10-17(11-9-16)18-12-14-20(15-13-18)21(2)19-6-4-3-5-7-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h3-36H,1-2H3;3-36H,1-2H3;3-15H,1-2H3;1-15H;6*1H;/q;;;;;;;;;;+5/p-5.
What are the key properties of [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride?
[4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride has a molecular weight of 2348.03 g/mol, XLogP of 36.24, 30 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-methylphenyl)methanone;N-(4-methoxyphenyl)-4-[4-(N-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]anilino)phenyl]-N-phenylaniline;N-methyl-4-(4-methylphenyl)-N-phenylaniline;pentachloro-λ5-stibane;triphenylazanium;chloride is sourced from PubChem (CID 158427813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).