aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine

C273H207B2Br8ClN23O12P — CID 159570491

About aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine

aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine (PubChem CID 159570491) has the molecular formula C273H207B2Br8ClN23O12P and a molecular weight of 4729.09 g/mol. Its IUPAC name is aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine
• PubChem CID: 159570491
• Molecular Formula: C273H207B2Br8ClN23O12P
• Molecular Weight: 4729.09 g/mol
• Exact Mass: 4717.94
• IUPAC Name: aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine
• SMILES: Brc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1.Brc1cccc(-c2nc3ccccc3c3ccc4c(nc(-c5ccccc5)n4-c4ccccc4)c23)c1.CC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)OC1(C)C.CC1(C)OB(c2cccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)c2)OC1(C)C.Nc1cc(Br)ccc1Cc1ccccc1.Nc1ccccc1.Nc1ccccc1-c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1.O=C(Cl)c1ccc(Br)cc1.O=C(Nc1ccccc1-c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1)c1cccc(Br)c1.O=Cc1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)c2)cc1.O=[N+]([O-])c1cc(Br)ccc1Br.O=[N+]([O-])c1cc(Br)ccc1Cc1ccccc1
• InChI: InChI=1S/C50H34N3OP.C38H32BN3O2.C32H22BrN3O.C32H20BrN3.C25H25BN2O2.C25H19N3.C19H13BrN2.C13H10BrNO2.C13H12BrN.C7H4BrClO.C7H6O.C6H3Br2NO2.C6H7N/c54-55(40-22-9-3-10-23-40,41-24-11-4-12-25-41)42-30-28-35(29-31-42)37-18-15-19-38(34-37)48-47-44(43-26-13-14-27-45(43)51-48)32-33-46-49(47)52-50(36-16-5-1-6-17-36)53(46)39-20-7-2-8-21-39;1-37(2)38(3,4)44-39(43-37)27-17-13-16-26(24-27)34-33-30(29-20-11-12-21-31(29)40-34)22-23-32-35(33)41-36(25-14-7-5-8-15-25)42(32)28-18-9-6-10-19-28;33-25-13-9-12-24(20-25)32(37)35-28-17-8-7-16-27(28)23-18-19-30-29(21-23)34-31(22-10-3-1-4-11-22)36(30)26-14-5-2-6-15-26;33-23-13-9-12-22(20-23)30-29-26(25-16-7-8-17-27(25)34-30)18-19-28-31(29)35-32(21-10-3-1-4-11-21)36(28)24-14-5-2-6-15-24;1-24(2)25(3,4)30-26(29-24)19-15-16-22-21(17-19)27-23(18-11-7-5-8-12-18)28(22)20-13-9-6-10-14-20;26-22-14-8-7-13-21(22)19-15-16-24-23(17-19)27-25(18-9-3-1-4-10-18)28(24)20-11-5-2-6-12-20;20-15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16;14-12-7-6-11(13(9-12)15(16)17)8-10-4-2-1-3-5-10;14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10;8-6-3-1-5(2-4-6)7(9)10;8-6-7-4-2-1-3-5-7;7-4-1-2-5(8)6(3-4)9(10)11;7-6-4-2-1-3-5-6/h1-34H;5-24H,1-4H3;1-21H,(H,35,37);1-20H;5-17H,1-4H3;1-17H,26H2;1-13H;1-7,9H,8H2;1-7,9H,8,15H2;1-4H;1-6H;1-3H;1-5H,7H2
• InChIKey: MHTDBSRSTWFWJD-UHFFFAOYSA-N
• XLogP: 69.60
• TPSA: 444.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 320
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4729.09
LogP ≤ 5	69.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine?

The IUPAC name of aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine (CID 159570491) is aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine.

What is the SMILES notation for aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine?

The canonical SMILES for aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine is Brc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1.Brc1cccc(-c2nc3ccccc3c3ccc4c(nc(-c5ccccc5)n4-c4ccccc4)c23)c1.CC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)OC1(C)C.CC1(C)OB(c2cccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)c2)OC1(C)C.Nc1cc(Br)ccc1Cc1ccccc1.Nc1ccccc1.Nc1ccccc1-c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1.O=C(Cl)c1ccc(Br)cc1.O=C(Nc1ccccc1-c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1)c1cccc(Br)c1.O=Cc1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)c2)cc1.O=[N+]([O-])c1cc(Br)ccc1Br.O=[N+]([O-])c1cc(Br)ccc1Cc1ccccc1.

What is the InChIKey of aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine?

The InChIKey is MHTDBSRSTWFWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N3OP.C38H32BN3O2.C32H22BrN3O.C32H20BrN3.C25H25BN2O2.C25H19N3.C19H13BrN2.C13H10BrNO2.C13H12BrN.C7H4BrClO.C7H6O.C6H3Br2NO2.C6H7N/c54-55(40-22-9-3-10-23-40,41-24-11-4-12-25-41)42-30-28-35(29-31-42)37-18-15-19-38(34-37)48-47-44(43-26-13-14-27-45(43)51-48)32-33-46-49(47)52-50(36-16-5-1-6-17-36)53(46)39-20-7-2-8-21-39;1-37(2)38(3,4)44-39(43-37)27-17-13-16-26(24-27)34-33-30(29-20-11-12-21-31(29)40-34)22-23-32-35(33)41-36(25-14-7-5-8-15-25)42(32)28-18-9-6-10-19-28;33-25-13-9-12-24(20-25)32(37)35-28-17-8-7-16-27(28)23-18-19-30-29(21-23)34-31(22-10-3-1-4-11-22)36(30)26-14-5-2-6-15-26;33-23-13-9-12-22(20-23)30-29-26(25-16-7-8-17-27(25)34-30)18-19-28-31(29)35-32(21-10-3-1-4-11-21)36(28)24-14-5-2-6-15-24;1-24(2)25(3,4)30-26(29-24)19-15-16-22-21(17-19)27-23(18-11-7-5-8-12-18)28(22)20-13-9-6-10-14-20;26-22-14-8-7-13-21(22)19-15-16-24-23(17-19)27-25(18-9-3-1-4-10-18)28(24)20-11-5-2-6-12-20;20-15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16;14-12-7-6-11(13(9-12)15(16)17)8-10-4-2-1-3-5-10;14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10;8-6-3-1-5(2-4-6)7(9)10;8-6-7-4-2-1-3-5-7;7-4-1-2-5(8)6(3-4)9(10)11;7-6-4-2-1-3-5-6/h1-34H;5-24H,1-4H3;1-21H,(H,35,37);1-20H;5-17H,1-4H3;1-17H,26H2;1-13H;1-7,9H,8H2;1-7,9H,8,15H2;1-4H;1-6H;1-3H;1-5H,7H2.

What are the key properties of aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine?

aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine has a molecular weight of 4729.09 g/mol, XLogP of 69.60, 35 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;3-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(3-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[3-(4-diphenylphosphorylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 159570491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).