N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline

C98H69BrN8 — CID 158137407

IUPACN-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4n4c5ccccc5nc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H34N4.C25H16BrN3.C24H19N/c1-3-11-35(12-4-1)37-19-27-41(28-20-37)51(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)52-47-17-9-10-18-48(47)53-46-16-8-7-15-45(46)50-49(52)53;26-19-13-9-17(10-14-19)18-11-15-20(16-12-18)28-23-7-3-4-8-24(23)29-22-6-2-1-5-21(22)27-25(28)29;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-34H;1-16H;1-18,25H
InChIKeyFTMZQUPVXJYEED-UHFFFAOYSA-N
MW1438.59 g/mol
LogP26.53
Rot. Bonds13

About N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 158137407) has the molecular formula C98H69BrN8 and a molecular weight of 1438.59 g/mol. Its IUPAC name is N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID158137407
Molecular FormulaC98H69BrN8
Molecular Weight1438.59 g/mol
Exact Mass1436.48
IUPAC NameN-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccc(-n3c4ccccc4n4c5ccccc5nc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H34N4.C25H16BrN3.C24H19N/c1-3-11-35(12-4-1)37-19-27-41(28-20-37)51(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)52-47-17-9-10-18-48(47)53-46-16-8-7-15-45(46)50-49(52)53;26-19-13-9-17(10-14-19)18-11-15-20(16-12-18)28-23-7-3-4-8-24(23)29-22-6-2-1-5-21(22)27-25(28)29;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-34H;1-16H;1-18,25H
InChIKeyFTMZQUPVXJYEED-UHFFFAOYSA-N
XLogP26.53
TPSA59.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001438.59
LogP ≤ 526.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

2-[3-(1H-benzimidazol-2-yl)-4-(4-bromophenyl)-2,6-diphenyl-3,4-dihydropyridin-5-yl]-1H-benzimidazole
CID 155561926
2-[5-(1H-benzimidazol-2-yl)-4-(4-bromophenyl)-2,6-diphenyl-1,4-dihydropyridin-3-yl]-1H-benzimidazole
CID 4589276
2,5-Bis[2-benzimidazolylimino]-3a,6a-bis(4-bromophenyl)-1,2,3,3a,4,5,6,6a-octahydroimidazo[4,5-d]imidazole
CID 22987879
6,6',16,16'-Tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]
CID 58249902
iridium(3+);1-phenyl-2-(3-phenylbenzene-2-id-1-yl)benzimidazole;1-phenyl-2-[3-(3-phenyl-3H-indol-2-yl)benzene-2-id-1-yl]benzimidazole
CID 58637656
11-[4-(4-Carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-3,19-diphenyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 68232980
3-[4-[4-(4-Carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-11,19-diphenyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 68233002
3-[4-(4-Carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 68233005
5-[9-(3-Bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 68378174
5-[3-[3-(Benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 68378196
5-[4-[4-(Benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 68378216
5-[6-(Benzimidazolo[1,2-a]benzimidazol-5-yl)-9-phenylcarbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 68378218

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline (CID 158137407) is N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline is Brc1ccc(-c2ccc(-n3c4ccccc4n4c5ccccc5nc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is FTMZQUPVXJYEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4.C25H16BrN3.C24H19N/c1-3-11-35(12-4-1)37-19-27-41(28-20-37)51(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)52-47-17-9-10-18-48(47)53-46-16-8-7-15-45(46)50-49(52)53;26-19-13-9-17(10-14-19)18-11-15-20(16-12-18)28-23-7-3-4-8-24(23)29-22-6-2-1-5-21(22)27-25(28)29;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-34H;1-16H;1-18,25H.
What are the key properties of N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1438.59 g/mol, XLogP of 26.53, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-[4-(4-bromophenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 158137407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).