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

C262H197B2Br8ClN24O11 — CID 159050962

About aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine (PubChem CID 159050962) has the molecular formula C262H197B2Br8ClN24O11 and a molecular weight of 4553.92 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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine
• PubChem CID: 159050962
• Molecular Formula: C262H197B2Br8ClN24O11
• Molecular Weight: 4553.92 g/mol
• Exact Mass: 4542.89
• IUPAC Name: aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine
• SMILES: Brc1ccc(-c2nc3ccccc3c3ccc4c(nc(-c5ccccc5)n4-c4ccccc4)c23)cc1.Brc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)cc2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)OC1(C)C.N#Cc1ccc(-c2ccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)cc2)cc1.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)c1ccc(Br)cc1.O=Cc1ccccc1.O=[N+]([O-])c1cc(Br)ccc1Br.O=[N+]([O-])c1cc(Br)ccc1Cc1ccccc1
• InChI: InChI=1S/C39H24N4.C38H32BN3O2.C32H22BrN3O.C32H20BrN3.C25H25BN2O2.C25H19N3.C19H13BrN2.C13H10BrNO2.C13H12BrN.C7H4BrClO.C7H6O.C6H3Br2NO2.C6H7N/c40-25-26-15-17-27(18-16-26)28-19-21-29(22-20-28)37-36-33(32-13-7-8-14-34(32)41-37)23-24-35-38(36)42-39(30-9-3-1-4-10-30)43(35)31-11-5-2-6-12-31;1-37(2)38(3,4)44-39(43-37)27-21-19-25(20-22-27)34-33-30(29-17-11-12-18-31(29)40-34)23-24-32-35(33)41-36(26-13-7-5-8-14-26)42(32)28-15-9-6-10-16-28;33-25-18-15-23(16-19-25)32(37)35-28-14-8-7-13-27(28)24-17-20-30-29(21-24)34-31(22-9-3-1-4-10-22)36(30)26-11-5-2-6-12-26;33-23-17-15-21(16-18-23)30-29-26(25-13-7-8-14-27(25)34-30)19-20-28-31(29)35-32(22-9-3-1-4-10-22)36(28)24-11-5-2-6-12-24;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/h1-24H;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: JXGKSZQVAGGQJO-UHFFFAOYSA-N
• XLogP: 67.83
• TPSA: 451.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 308
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4553.92
LogP ≤ 5	67.83
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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine (CID 159050962) is aniline;benzaldehyde;2-benzyl-5-bromoaniline;1-benzyl-4-bromo-2-nitrobenzene;4-bromobenzoyl chloride;5-bromo-1,2-diphenylbenzimidazole;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine is Brc1ccc(-c2nc3ccccc3c3ccc4c(nc(-c5ccccc5)n4-c4ccccc4)c23)cc1.Brc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)cc2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)OC1(C)C.N#Cc1ccc(-c2ccc(-c3nc4ccccc4c4ccc5c(nc(-c6ccccc6)n5-c5ccccc5)c34)cc2)cc1.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)c1ccc(Br)cc1.O=Cc1ccccc1.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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine?

The InChIKey is JXGKSZQVAGGQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4.C38H32BN3O2.C32H22BrN3O.C32H20BrN3.C25H25BN2O2.C25H19N3.C19H13BrN2.C13H10BrNO2.C13H12BrN.C7H4BrClO.C7H6O.C6H3Br2NO2.C6H7N/c40-25-26-15-17-27(18-16-26)28-19-21-29(22-20-28)37-36-33(32-13-7-8-14-34(32)41-37)23-24-35-38(36)42-39(30-9-3-1-4-10-30)43(35)31-11-5-2-6-12-31;1-37(2)38(3,4)44-39(43-37)27-21-19-25(20-22-27)34-33-30(29-17-11-12-18-31(29)40-34)23-24-32-35(33)41-36(26-13-7-5-8-14-26)42(32)28-15-9-6-10-16-28;33-25-18-15-23(16-19-25)32(37)35-28-14-8-7-13-27(28)24-17-20-30-29(21-24)34-31(22-9-3-1-4-10-22)36(30)26-11-5-2-6-12-26;33-23-17-15-21(16-18-23)30-29-26(25-13-7-8-14-27(25)34-30)19-20-28-31(29)35-32(22-9-3-1-4-10-22)36(28)24-11-5-2-6-12-24;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/h1-24H;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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine has a molecular weight of 4553.92 g/mol, XLogP of 67.83, 32 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;4-bromo-N-[2-(1,2-diphenylbenzimidazol-5-yl)phenyl]benzamide;4-(4-bromophenyl)-1,2-diphenylimidazo[4,5-i]phenanthridine;1,4-dibromo-2-nitrobenzene;2-(1,2-diphenylbenzimidazol-5-yl)aniline;4-[4-(1,2-diphenylimidazo[4,5-i]phenanthridin-4-yl)phenyl]benzonitrile;1,2-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;1,2-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 159050962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).