N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)

C174H171B6Br6Cl4I2N12O15P — CID 158219492

IUPACN-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Brc1ccc(I)cc1.Brc1ccc(I)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.Nc1ccccc1N(C(=O)c1ccc(Br)cc1)c1ccccc1.Nc1ccccc1Nc1ccccc1.O=C(Cl)c1ccc(Br)cc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C31H29BN2O2.C25H25BN2O2.C25H17BrN2.C19H15BrN2O.C19H13BrN2.2C12H24B2O4.C12H12N2.C7H4BrClO.2C6H4BrI.Cl3OP/c1-30(2)31(3,4)36-32(35-30)25-20-18-23(19-21-25)22-14-16-24(17-15-22)29-33-27-12-8-9-13-28(27)34(29)26-10-6-5-7-11-26;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22;20-15-12-10-14(11-13-15)19(23)22(16-6-2-1-3-7-16)18-9-5-4-8-17(18)21;20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;8-6-3-1-5(2-4-6)7(9)10;2*7-5-1-3-6(8)4-2-5;1-5(2,3)4/h5-21H,1-4H3;5-17H,1-4H3;1-17H;1-13H,21H2;1-13H;2*1-8H3;1-9,14H,13H2;1-4H;2*1-4H;
InChIKeyGDBLISSJDMANJU-UHFFFAOYSA-N
MW3641.24 g/mol
LogP48.49
Rot. Bonds20

About N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)

N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) (PubChem CID 158219492) has the molecular formula C174H171B6Br6Cl4I2N12O15P and a molecular weight of 3641.24 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane).

Molecular Properties

Compound NameN-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
PubChem CID158219492
Molecular FormulaC174H171B6Br6Cl4I2N12O15P
Molecular Weight3641.24 g/mol
Exact Mass3632.52
IUPAC NameN-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Brc1ccc(I)cc1.Brc1ccc(I)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.Nc1ccccc1N(C(=O)c1ccc(Br)cc1)c1ccccc1.Nc1ccccc1Nc1ccccc1.O=C(Cl)c1ccc(Br)cc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C31H29BN2O2.C25H25BN2O2.C25H17BrN2.C19H15BrN2O.C19H13BrN2.2C12H24B2O4.C12H12N2.C7H4BrClO.2C6H4BrI.Cl3OP/c1-30(2)31(3,4)36-32(35-30)25-20-18-23(19-21-25)22-14-16-24(17-15-22)29-33-27-12-8-9-13-28(27)34(29)26-10-6-5-7-11-26;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22;20-15-12-10-14(11-13-15)19(23)22(16-6-2-1-3-7-16)18-9-5-4-8-17(18)21;20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;8-6-3-1-5(2-4-6)7(9)10;2*7-5-1-3-6(8)4-2-5;1-5(2,3)4/h5-21H,1-4H3;5-17H,1-4H3;1-17H;1-13H,21H2;1-13H;2*1-8H3;1-9,14H,13H2;1-4H;2*1-4H;
InChIKeyGDBLISSJDMANJU-UHFFFAOYSA-N
XLogP48.49
TPSA300.56 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003641.24
LogP ≤ 548.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?
The IUPAC name of N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) (CID 158219492) is N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane).
What is the SMILES notation for N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?
The canonical SMILES for N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) is Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Brc1ccc(I)cc1.Brc1ccc(I)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.Nc1ccccc1N(C(=O)c1ccc(Br)cc1)c1ccccc1.Nc1ccccc1Nc1ccccc1.O=C(Cl)c1ccc(Br)cc1.O=P(Cl)(Cl)Cl.
What is the InChIKey of N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?
The InChIKey is GDBLISSJDMANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29BN2O2.C25H25BN2O2.C25H17BrN2.C19H15BrN2O.C19H13BrN2.2C12H24B2O4.C12H12N2.C7H4BrClO.2C6H4BrI.Cl3OP/c1-30(2)31(3,4)36-32(35-30)25-20-18-23(19-21-25)22-14-16-24(17-15-22)29-33-27-12-8-9-13-28(27)34(29)26-10-6-5-7-11-26;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22;20-15-12-10-14(11-13-15)19(23)22(16-6-2-1-3-7-16)18-9-5-4-8-17(18)21;20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16;2*1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;8-6-3-1-5(2-4-6)7(9)10;2*7-5-1-3-6(8)4-2-5;1-5(2,3)4/h5-21H,1-4H3;5-17H,1-4H3;1-17H;1-13H,21H2;1-13H;2*1-8H3;1-9,14H,13H2;1-4H;2*1-4H;.
What are the key properties of N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)?
N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) has a molecular weight of 3641.24 g/mol, XLogP of 48.49, 20 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-bromo-N-phenylbenzamide;4-bromobenzoyl chloride;bis(1-bromo-4-iodobenzene);2-(4-bromophenyl)-1-phenylbenzimidazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole;phosphoryl trichloride;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane) is sourced from PubChem (CID 158219492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).