4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole

C126H83Br4FIN19O4 — CID 159805670

IUPAC4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole
SMILESBrc1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)c1.Brc1cccc(I)c1.Brc1ccccc1Br.Nc1ccc(-n2c3ccccc3n3c4ccccc4nc23)cc1.O=[N+]([O-])c1ccc(-n2c3ccccc3n3c4ccccc4nc23)cc1.O=[N+]([O-])c1ccc(F)cc1.c1ccc2c(c1)Cc1nc3ccccc3n1-2.c1ccc2c(c1)nc1n(-c3ccc4[nH]c5ccccc5c4c3)c3ccccc3n21
InChIInChI=1S/C31H19BrN4.C25H16N4.C19H12N4O2.C19H14N4.C14H10N2.C6H4Br2.C6H4BrI.C6H4FNO2/c32-20-8-7-9-21(18-20)34-26-12-3-1-10-23(26)24-19-22(16-17-27(24)34)35-29-14-5-6-15-30(29)36-28-13-4-2-11-25(28)33-31(35)36;1-2-8-19-17(7-1)18-15-16(13-14-20(18)26-19)28-23-11-5-6-12-24(23)29-22-10-4-3-9-21(22)27-25(28)29;24-23(25)14-11-9-13(10-12-14)21-17-7-3-4-8-18(17)22-16-6-2-1-5-15(16)20-19(21)22;20-13-9-11-14(12-10-13)22-17-7-3-4-8-18(17)23-16-6-2-1-5-15(16)21-19(22)23;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;7-5-3-1-2-4-6(5)8;7-5-2-1-3-6(8)4-5;7-5-1-3-6(4-2-5)8(9)10/h1-19H;1-15,26H;1-12H;1-12H,20H2;1-8H,9H2;2*1-4H;1-4H
InChIKeyNKIXKTZRKQVHLR-UHFFFAOYSA-N
MW2392.70 g/mol
LogP33.64
Rot. Bonds7

About 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole

4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 159805670) has the molecular formula C126H83Br4FIN19O4 and a molecular weight of 2392.70 g/mol. Its IUPAC name is 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID159805670
Molecular FormulaC126H83Br4FIN19O4
Molecular Weight2392.70 g/mol
Exact Mass2387.26
IUPAC Name4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole
SMILESBrc1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)c1.Brc1cccc(I)c1.Brc1ccccc1Br.Nc1ccc(-n2c3ccccc3n3c4ccccc4nc23)cc1.O=[N+]([O-])c1ccc(-n2c3ccccc3n3c4ccccc4nc23)cc1.O=[N+]([O-])c1ccc(F)cc1.c1ccc2c(c1)Cc1nc3ccccc3n1-2.c1ccc2c(c1)nc1n(-c3ccc4[nH]c5ccccc5c4c3)c3ccccc3n21
InChIInChI=1S/C31H19BrN4.C25H16N4.C19H12N4O2.C19H14N4.C14H10N2.C6H4Br2.C6H4BrI.C6H4FNO2/c32-20-8-7-9-21(18-20)34-26-12-3-1-10-23(26)24-19-22(16-17-27(24)34)35-29-14-5-6-15-30(29)36-28-13-4-2-11-25(28)33-31(35)36;1-2-8-19-17(7-1)18-15-16(13-14-20(18)26-19)28-23-11-5-6-12-24(23)29-22-10-4-3-9-21(22)27-25(28)29;24-23(25)14-11-9-13(10-12-14)21-17-7-3-4-8-18(17)22-16-6-2-1-5-15(16)20-19(21)22;20-13-9-11-14(12-10-13)22-17-7-3-4-8-18(17)23-16-6-2-1-5-15(16)21-19(22)23;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;7-5-3-1-2-4-6(5)8;7-5-2-1-3-6(8)4-5;7-5-1-3-6(4-2-5)8(9)10/h1-19H;1-15,26H;1-12H;1-12H,20H2;1-8H,9H2;2*1-4H;1-4H
InChIKeyNKIXKTZRKQVHLR-UHFFFAOYSA-N
XLogP33.64
TPSA239.76 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002392.70
LogP ≤ 533.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole (CID 159805670) is 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole is Brc1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5n5c6ccccc6nc45)ccc32)c1.Brc1cccc(I)c1.Brc1ccccc1Br.Nc1ccc(-n2c3ccccc3n3c4ccccc4nc23)cc1.O=[N+]([O-])c1ccc(-n2c3ccccc3n3c4ccccc4nc23)cc1.O=[N+]([O-])c1ccc(F)cc1.c1ccc2c(c1)Cc1nc3ccccc3n1-2.c1ccc2c(c1)nc1n(-c3ccc4[nH]c5ccccc5c4c3)c3ccccc3n21.
What is the InChIKey of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is NKIXKTZRKQVHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrN4.C25H16N4.C19H12N4O2.C19H14N4.C14H10N2.C6H4Br2.C6H4BrI.C6H4FNO2/c32-20-8-7-9-21(18-20)34-26-12-3-1-10-23(26)24-19-22(16-17-27(24)34)35-29-14-5-6-15-30(29)36-28-13-4-2-11-25(28)33-31(35)36;1-2-8-19-17(7-1)18-15-16(13-14-20(18)26-19)28-23-11-5-6-12-24(23)29-22-10-4-3-9-21(22)27-25(28)29;24-23(25)14-11-9-13(10-12-14)21-17-7-3-4-8-18(17)22-16-6-2-1-5-15(16)20-19(21)22;20-13-9-11-14(12-10-13)22-17-7-3-4-8-18(17)23-16-6-2-1-5-15(16)21-19(22)23;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;7-5-3-1-2-4-6(5)8;7-5-2-1-3-6(8)4-5;7-5-1-3-6(4-2-5)8(9)10/h1-19H;1-15,26H;1-12H;1-12H,20H2;1-8H,9H2;2*1-4H;1-4H.
What are the key properties of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole?
4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 2392.70 g/mol, XLogP of 33.64, 7 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)aniline;1-bromo-3-iodobenzene;5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;5-(9H-carbazol-3-yl)benzimidazolo[1,2-a]benzimidazole;1,2-dibromobenzene;1-fluoro-4-nitrobenzene;11H-indolo[1,2-a]benzimidazole;5-(4-nitrophenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 159805670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).