benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine

C112H75Br7Cl3N13O6 — CID 158426553

IUPACbenzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine
SMILESBrc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(Br)cc4)cc(-c4nc5ccccc5n4-c4ccc(Br)cc4)c3)nc3ccccc32)cc1.Nc1ccccc1Nc1ccc(Br)cc1.O=C(Cc1ccccc1Nc1ccc(Br)cc1)c1cc(C(=O)Nc2ccccc2Nc2ccc(Br)cc2)cc(C(=O)Nc2ccccc2Nc2ccc(Br)cc2)c1.O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1
InChIInChI=1S/C46H34Br3N5O3.C45H27Br3N6.C12H11BrN2.C9H3Cl3O3/c47-33-13-19-36(20-14-33)50-39-8-2-1-7-29(39)28-44(55)30-25-31(45(56)53-42-11-5-3-9-40(42)51-37-21-15-34(48)16-22-37)27-32(26-30)46(57)54-43-12-6-4-10-41(43)52-38-23-17-35(49)18-24-38;46-31-13-19-34(20-14-31)52-40-10-4-1-7-37(40)49-43(52)28-25-29(44-50-38-8-2-5-11-41(38)53(44)35-21-15-32(47)16-22-35)27-30(26-28)45-51-39-9-3-6-12-42(39)54(45)36-23-17-33(48)18-24-36;13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14;10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-27,50-52H,28H2,(H,53,56)(H,54,57);1-27H;1-8,15H,14H2;1-3H
InChIKeyHBCSYIHGKJSPKG-UHFFFAOYSA-N
MW2364.60 g/mol
LogP32.73
Rot. Bonds24

About benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine

benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine (PubChem CID 158426553) has the molecular formula C112H75Br7Cl3N13O6 and a molecular weight of 2364.60 g/mol. Its IUPAC name is benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Namebenzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine
PubChem CID158426553
Molecular FormulaC112H75Br7Cl3N13O6
Molecular Weight2364.60 g/mol
Exact Mass2354.93
IUPAC Namebenzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine
SMILESBrc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(Br)cc4)cc(-c4nc5ccccc5n4-c4ccc(Br)cc4)c3)nc3ccccc32)cc1.Nc1ccccc1Nc1ccc(Br)cc1.O=C(Cc1ccccc1Nc1ccc(Br)cc1)c1cc(C(=O)Nc2ccccc2Nc2ccc(Br)cc2)cc(C(=O)Nc2ccccc2Nc2ccc(Br)cc2)c1.O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1
InChIInChI=1S/C46H34Br3N5O3.C45H27Br3N6.C12H11BrN2.C9H3Cl3O3/c47-33-13-19-36(20-14-33)50-39-8-2-1-7-29(39)28-44(55)30-25-31(45(56)53-42-11-5-3-9-40(42)51-37-21-15-34(48)16-22-37)27-32(26-30)46(57)54-43-12-6-4-10-41(43)52-38-23-17-35(49)18-24-38;46-31-13-19-34(20-14-31)52-40-10-4-1-7-37(40)49-43(52)28-25-29(44-50-38-8-2-5-11-41(38)53(44)35-21-15-32(47)16-22-35)27-30(26-28)45-51-39-9-3-6-12-42(39)54(45)36-23-17-33(48)18-24-36;13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14;10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-27,50-52H,28H2,(H,53,56)(H,54,57);1-27H;1-8,15H,14H2;1-3H
InChIKeyHBCSYIHGKJSPKG-UHFFFAOYSA-N
XLogP32.73
TPSA254.08 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002364.60
LogP ≤ 532.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine with MolForge

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Related Compounds

aniline;N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;1-bromo-2-nitrobenzene;2-(4-bromophenyl)-1-phenylbenzimidazole;N,N-diphenyl-4-(1-phenylbenzimidazol-2-yl)aniline;hydron;2-nitro-N-phenylaniline;N-phenylaniline
CID 157442581
2-[2-(4-bromoanilino)phenyl]-1-phenylethanone;bis(1-(4-bromophenyl)-2-phenylbenzimidazole);2-chloro-4,6-di(phenanthren-9-yl)pyrimidine;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 161422630
N-(2-anilinophenyl)-5-bromopyridine-3-carboxamide;2-(5-bromo-3-pyridinyl)-1-phenylbenzimidazole;methane;1-phenyl-2-[5-[5-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]benzimidazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162142989
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
4-bromobenzaldehyde;2-(4-bromophenyl)-1-phenylbenzimidazole;iodomethane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 159324856
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-[2-(4-bromoanilino)phenyl]acetic acid
CID 18546402
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158
N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide
CID 141267231
2-N-[2-[4-[5-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]anilino]phenyl]benzene-1,2-diamine
CID 145050403
N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide
CID 11632239
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine?
The IUPAC name of benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine (CID 158426553) is benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine.
What is the SMILES notation for benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine?
The canonical SMILES for benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine is Brc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccc(Br)cc4)cc(-c4nc5ccccc5n4-c4ccc(Br)cc4)c3)nc3ccccc32)cc1.Nc1ccccc1Nc1ccc(Br)cc1.O=C(Cc1ccccc1Nc1ccc(Br)cc1)c1cc(C(=O)Nc2ccccc2Nc2ccc(Br)cc2)cc(C(=O)Nc2ccccc2Nc2ccc(Br)cc2)c1.O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1.
What is the InChIKey of benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine?
The InChIKey is HBCSYIHGKJSPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34Br3N5O3.C45H27Br3N6.C12H11BrN2.C9H3Cl3O3/c47-33-13-19-36(20-14-33)50-39-8-2-1-7-29(39)28-44(55)30-25-31(45(56)53-42-11-5-3-9-40(42)51-37-21-15-34(48)16-22-37)27-32(26-30)46(57)54-43-12-6-4-10-41(43)52-38-23-17-35(49)18-24-38;46-31-13-19-34(20-14-31)52-40-10-4-1-7-37(40)49-43(52)28-25-29(44-50-38-8-2-5-11-41(38)53(44)35-21-15-32(47)16-22-35)27-30(26-28)45-51-39-9-3-6-12-42(39)54(45)36-23-17-33(48)18-24-36;13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14;10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-27,50-52H,28H2,(H,53,56)(H,54,57);1-27H;1-8,15H,14H2;1-3H.
What are the key properties of benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine?
benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine has a molecular weight of 2364.60 g/mol, XLogP of 32.73, 24 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-tricarbonyl chloride;1-N,3-N-bis[2-(4-bromoanilino)phenyl]-5-[2-[2-(4-bromoanilino)phenyl]acetyl]benzene-1,3-dicarboxamide;2-[3,5-bis[1-(4-bromophenyl)benzimidazol-2-yl]phenyl]-1-(4-bromophenyl)benzimidazole;2-N-(4-bromophenyl)benzene-1,2-diamine is sourced from PubChem (CID 158426553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).