N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride

C95H73BBr5Cl4N8O5P — CID 157358125

IUPACN-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride
SMILESBrc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(B(O)O)ccc32)cc1.Nc1ccccc1Nc1ccccc1.O=C(Cl)c1ccccc1Br.O=C(Nc1ccccc1Nc1ccccc1)c1ccccc1Br.O=P(Cl)(Cl)Cl
InChIInChI=1S/C19H16BNO2.C19H13Br2N.C19H15BrN2O.C19H13BrN2.C12H12N2.C7H4BrClO.Cl3OP/c1-13-6-9-15(10-7-13)21-18-5-3-2-4-16(18)17-12-14(20(22)23)8-11-19(17)21;1-12-2-6-15(7-3-12)22-18-8-4-13(20)10-16(18)17-11-14(21)5-9-19(17)22;20-16-11-5-4-10-15(16)19(23)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14;20-16-11-5-4-10-15(16)19-21-17-12-6-7-13-18(17)22(19)14-8-2-1-3-9-14;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h2-12,22-23H,1H3;2-11H,1H3;1-13,21H,(H,22,23);1-13H;1-9,14H,13H2;1-4H;
InChIKeyBIICQYJFFMECTN-UHFFFAOYSA-N
MW1989.80 g/mol
LogP28.94
Rot. Bonds12

About N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride

N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride (PubChem CID 157358125) has the molecular formula C95H73BBr5Cl4N8O5P and a molecular weight of 1989.80 g/mol. Its IUPAC name is N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride.

Molecular Properties

Compound NameN-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride
PubChem CID157358125
Molecular FormulaC95H73BBr5Cl4N8O5P
Molecular Weight1989.80 g/mol
Exact Mass1982.02
IUPAC NameN-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride
SMILESBrc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(B(O)O)ccc32)cc1.Nc1ccccc1Nc1ccccc1.O=C(Cl)c1ccccc1Br.O=C(Nc1ccccc1Nc1ccccc1)c1ccccc1Br.O=P(Cl)(Cl)Cl
InChIInChI=1S/C19H16BNO2.C19H13Br2N.C19H15BrN2O.C19H13BrN2.C12H12N2.C7H4BrClO.Cl3OP/c1-13-6-9-15(10-7-13)21-18-5-3-2-4-16(18)17-12-14(20(22)23)8-11-19(17)21;1-12-2-6-15(7-3-12)22-18-8-4-13(20)10-16(18)17-11-14(21)5-9-19(17)22;20-16-11-5-4-10-15(16)19(23)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14;20-16-11-5-4-10-15(16)19-21-17-12-6-7-13-18(17)22(19)14-8-2-1-3-9-14;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h2-12,22-23H,1H3;2-11H,1H3;1-13,21H,(H,22,23);1-13H;1-9,14H,13H2;1-4H;
InChIKeyBIICQYJFFMECTN-UHFFFAOYSA-N
XLogP28.94
TPSA181.46 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001989.80
LogP ≤ 528.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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': 'phosphor', 'substructure': 'N/A'}

Analyze N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride?
The IUPAC name of N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride (CID 157358125) is N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride.
What is the SMILES notation for N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride?
The canonical SMILES for N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride is Brc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(B(O)O)ccc32)cc1.Nc1ccccc1Nc1ccccc1.O=C(Cl)c1ccccc1Br.O=C(Nc1ccccc1Nc1ccccc1)c1ccccc1Br.O=P(Cl)(Cl)Cl.
What is the InChIKey of N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride?
The InChIKey is BIICQYJFFMECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BNO2.C19H13Br2N.C19H15BrN2O.C19H13BrN2.C12H12N2.C7H4BrClO.Cl3OP/c1-13-6-9-15(10-7-13)21-18-5-3-2-4-16(18)17-12-14(20(22)23)8-11-19(17)21;1-12-2-6-15(7-3-12)22-18-8-4-13(20)10-16(18)17-11-14(21)5-9-19(17)22;20-16-11-5-4-10-15(16)19(23)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14;20-16-11-5-4-10-15(16)19-21-17-12-6-7-13-18(17)22(19)14-8-2-1-3-9-14;13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h2-12,22-23H,1H3;2-11H,1H3;1-13,21H,(H,22,23);1-13H;1-9,14H,13H2;1-4H;.
What are the key properties of N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride?
N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride has a molecular weight of 1989.80 g/mol, XLogP of 28.94, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-2-bromobenzamide;2-bromobenzoyl chloride;2-(2-bromophenyl)-1-phenylbenzimidazole;3,6-dibromo-9-(4-methylphenyl)carbazole;[9-(4-methylphenyl)carbazol-3-yl]boronic acid;2-N-phenylbenzene-1,2-diamine;phosphoryl trichloride is sourced from PubChem (CID 157358125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).