benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride

C170H131Br5Cl2N10O6 — CID 159297719

About benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride

benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride (PubChem CID 159297719) has the molecular formula C170H131Br5Cl2N10O6 and a molecular weight of 2880.41 g/mol. Its IUPAC name is benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride.

Molecular Properties

• Compound Name: benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride
• PubChem CID: 159297719
• Molecular Formula: C170H131Br5Cl2N10O6
• Molecular Weight: 2880.41 g/mol
• Exact Mass: 2872.55
• IUPAC Name: benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride
• SMILES: Brc1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1cc(Br)cc(-c2ccccc2)c1.CC(=O)c1ccccc1.CC(=O)c1ccccc1.Cl.Cl.O=C(/C=C/c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1)c1ccccc1.O=C(/C=C/c1cc(Br)cc(-c2ccccc2)c1)c1ccccc1.O=Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.O=Cc1cc(Br)cc(-c2ccccc2)c1.[H]/N=C(\N)c1ccccc1.[H]/N=C(\N)c1ccccc1
• InChI: InChI=1S/C37H26N2O.C29H20N2O.C28H19BrN2.C21H15BrO.C13H9BrO.C12H8Br2.2C8H8O.2C7H8N2.2ClH/c40-36(30-17-9-3-10-18-30)22-21-27-23-32(28-13-5-1-6-14-28)25-33(24-27)35-26-34(29-15-7-2-8-16-29)38-37(39-35)31-19-11-4-12-20-31;32-20-21-16-25(22-10-4-1-5-11-22)18-26(17-21)28-19-27(23-12-6-2-7-13-23)30-29(31-28)24-14-8-3-9-15-24;29-25-17-23(20-10-4-1-5-11-20)16-24(18-25)27-19-26(21-12-6-2-7-13-21)30-28(31-27)22-14-8-3-9-15-22;22-20-14-16(11-12-21(23)18-9-5-2-6-10-18)13-19(15-20)17-7-3-1-4-8-17;14-13-7-10(9-15)6-12(8-13)11-4-2-1-3-5-11;13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9;2*1-7(9)8-5-3-2-4-6-8;2*8-7(9)6-4-2-1-3-5-6;;/h1-26H;1-20H;1-19H;1-15H;1-9H;1-8H;2*2-6H,1H3;2*1-5H,(H3,8,9);2*1H/b22-21+;;;12-11+
• InChIKey: PJGNTCCSOOUYRL-BCDZJJDDSA-N
• XLogP: 45.29
• TPSA: 279.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2880.41
LogP ≤ 5	45.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride?

The IUPAC name of benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride (CID 159297719) is benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride.

What is the SMILES notation for benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride?

The canonical SMILES for benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride is Brc1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1cc(Br)cc(-c2ccccc2)c1.CC(=O)c1ccccc1.CC(=O)c1ccccc1.Cl.Cl.O=C(/C=C/c1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1)c1ccccc1.O=C(/C=C/c1cc(Br)cc(-c2ccccc2)c1)c1ccccc1.O=Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.O=Cc1cc(Br)cc(-c2ccccc2)c1.[H]/N=C(\N)c1ccccc1.[H]/N=C(\N)c1ccccc1.

What is the InChIKey of benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride?

The InChIKey is PJGNTCCSOOUYRL-BCDZJJDDSA-N. The full InChI is InChI=1S/C37H26N2O.C29H20N2O.C28H19BrN2.C21H15BrO.C13H9BrO.C12H8Br2.2C8H8O.2C7H8N2.2ClH/c40-36(30-17-9-3-10-18-30)22-21-27-23-32(28-13-5-1-6-14-28)25-33(24-27)35-26-34(29-15-7-2-8-16-29)38-37(39-35)31-19-11-4-12-20-31;32-20-21-16-25(22-10-4-1-5-11-22)18-26(17-21)28-19-27(23-12-6-2-7-13-23)30-29(31-28)24-14-8-3-9-15-24;29-25-17-23(20-10-4-1-5-11-20)16-24(18-25)27-19-26(21-12-6-2-7-13-21)30-28(31-27)22-14-8-3-9-15-22;22-20-14-16(11-12-21(23)18-9-5-2-6-10-18)13-19(15-20)17-7-3-1-4-8-17;14-13-7-10(9-15)6-12(8-13)11-4-2-1-3-5-11;13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9;2*1-7(9)8-5-3-2-4-6-8;2*8-7(9)6-4-2-1-3-5-6;;/h1-26H;1-20H;1-19H;1-15H;1-9H;1-8H;2*2-6H,1H3;2*1-5H,(H3,8,9);2*1H/b22-21+;;;12-11+;;;;;;;;.

What are the key properties of benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride?

benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride has a molecular weight of 2880.41 g/mol, XLogP of 45.29, 27 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzenecarboximidamide;3-bromo-5-phenylbenzaldehyde;4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine;(E)-3-(3-bromo-5-phenylphenyl)-1-phenylprop-2-en-1-one;1,3-dibromo-5-phenylbenzene;3-(2,6-diphenylpyrimidin-4-yl)-5-phenylbenzaldehyde;(E)-3-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylprop-2-en-1-one;bis(1-phenylethanone);dihydrochloride is sourced from PubChem (CID 159297719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).