N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole

C129H105Br4Cl3N12O3P2 — CID 157395731

IUPACN-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole
SMILESBrc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.C.C.C.ClP(Cl)c1ccccc1.Nc1ccccc1Nc1ccccc1.O=C(Cl)c1ccc(Br)cc1.O=C(Nc1ccccc1Nc1ccccc1)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C44H31N4OP.C19H15BrN2O.2C19H13BrN2.C12H12N2.C7H4BrClO.C6H5Cl2P.3CH4/c49-50(36-18-8-3-9-19-36,37-28-24-32(25-29-37)43-45-39-20-10-12-22-41(39)47(43)34-14-4-1-5-15-34)38-30-26-33(27-31-38)44-46-40-21-11-13-23-42(40)48(44)35-16-6-2-7-17-35;20-15-12-10-14(11-13-15)19(23)22-18-9-5-4-8-17(18)21-16-6-2-1-3-7-16;2*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;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;7-9(8)6-4-2-1-3-5-6;;;/h1-31H;1-13,21H,(H,22,23);2*1-13H;1-9,14H,13H2;1-4H;1-5H;3*1H4
InChIKeyBMNYGYLVXCMXEQ-UHFFFAOYSA-N
MW2359.26 g/mol
LogP36.54
Rot. Bonds19

About N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole

N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole (PubChem CID 157395731) has the molecular formula C129H105Br4Cl3N12O3P2 and a molecular weight of 2359.26 g/mol. Its IUPAC name is N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole.

Molecular Properties

Compound NameN-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole
PubChem CID157395731
Molecular FormulaC129H105Br4Cl3N12O3P2
Molecular Weight2359.26 g/mol
Exact Mass2352.37
IUPAC NameN-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole
SMILESBrc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.C.C.C.ClP(Cl)c1ccccc1.Nc1ccccc1Nc1ccccc1.O=C(Cl)c1ccc(Br)cc1.O=C(Nc1ccccc1Nc1ccccc1)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C44H31N4OP.C19H15BrN2O.2C19H13BrN2.C12H12N2.C7H4BrClO.C6H5Cl2P.3CH4/c49-50(36-18-8-3-9-19-36,37-28-24-32(25-29-37)43-45-39-20-10-12-22-41(39)47(43)34-14-4-1-5-15-34)38-30-26-33(27-31-38)44-46-40-21-11-13-23-42(40)48(44)35-16-6-2-7-17-35;20-15-12-10-14(11-13-15)19(23)22-18-9-5-4-8-17(18)21-16-6-2-1-3-7-16;2*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;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;7-9(8)6-4-2-1-3-5-6;;;/h1-31H;1-13,21H,(H,22,23);2*1-13H;1-9,14H,13H2;1-4H;1-5H;3*1H4
InChIKeyBMNYGYLVXCMXEQ-UHFFFAOYSA-N
XLogP36.54
TPSA184.60 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002359.26
LogP ≤ 536.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole?
The IUPAC name of N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole (CID 157395731) is N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole.
What is the SMILES notation for N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole?
The canonical SMILES for N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole is Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.Brc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.C.C.C.ClP(Cl)c1ccccc1.Nc1ccccc1Nc1ccccc1.O=C(Cl)c1ccc(Br)cc1.O=C(Nc1ccccc1Nc1ccccc1)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole?
The InChIKey is BMNYGYLVXCMXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N4OP.C19H15BrN2O.2C19H13BrN2.C12H12N2.C7H4BrClO.C6H5Cl2P.3CH4/c49-50(36-18-8-3-9-19-36,37-28-24-32(25-29-37)43-45-39-20-10-12-22-41(39)47(43)34-14-4-1-5-15-34)38-30-26-33(27-31-38)44-46-40-21-11-13-23-42(40)48(44)35-16-6-2-7-17-35;20-15-12-10-14(11-13-15)19(23)22-18-9-5-4-8-17(18)21-16-6-2-1-3-7-16;2*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;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;7-9(8)6-4-2-1-3-5-6;;;/h1-31H;1-13,21H,(H,22,23);2*1-13H;1-9,14H,13H2;1-4H;1-5H;3*1H4.
What are the key properties of N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole?
N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole has a molecular weight of 2359.26 g/mol, XLogP of 36.54, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-4-bromobenzamide;4-bromobenzoyl chloride;bis(2-(4-bromophenyl)-1-phenylbenzimidazole);dichloro(phenyl)phosphane;methane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-[phenyl-[4-(1-phenylbenzimidazol-2-yl)phenyl]phosphoryl]phenyl]benzimidazole is sourced from PubChem (CID 157395731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).