2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

C169H129B2Br3N12O6 — CID 159132887

IUPAC2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc12.Brc1ccc(Br)c2ccccc12.CC1(C)OB(c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.Nc1ccccc1-c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc12.O=[N+]([O-])c1ccccc1-c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C35H31BN2O2.C35H23N3O2.C35H25N3.C29H19BrN2.C25H25BN2O2.C10H6Br2/c1-34(2)35(3,4)40-36(39-34)30-23-22-27(28-14-8-9-15-29(28)30)24-18-20-25(21-19-24)33-37-31-16-10-11-17-32(31)38(33)26-12-6-5-7-13-26;39-38(40)33-16-8-6-14-31(33)30-23-22-27(28-12-4-5-13-29(28)30)24-18-20-25(21-19-24)35-36-32-15-7-9-17-34(32)37(35)26-10-2-1-3-11-26;36-32-15-7-6-14-31(32)30-23-22-27(28-12-4-5-13-29(28)30)24-18-20-25(21-19-24)35-37-33-16-8-9-17-34(33)38(35)26-10-2-1-3-11-26;30-26-19-18-23(24-10-4-5-11-25(24)26)20-14-16-21(17-15-20)29-31-27-12-6-7-13-28(27)32(29)22-8-2-1-3-9-22;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h5-23H,1-4H3;1-23H;1-23H,36H2;1-19H;5-17H,1-4H3;1-6H
InChIKeyKHCSRZVAFMKFBU-UHFFFAOYSA-N
MW2685.30 g/mol
LogP43.29
Rot. Bonds19

About 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (PubChem CID 159132887) has the molecular formula C169H129B2Br3N12O6 and a molecular weight of 2685.30 g/mol. Its IUPAC name is 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
PubChem CID159132887
Molecular FormulaC169H129B2Br3N12O6
Molecular Weight2685.30 g/mol
Exact Mass2680.79
IUPAC Name2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc12.Brc1ccc(Br)c2ccccc12.CC1(C)OB(c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.Nc1ccccc1-c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc12.O=[N+]([O-])c1ccccc1-c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C35H31BN2O2.C35H23N3O2.C35H25N3.C29H19BrN2.C25H25BN2O2.C10H6Br2/c1-34(2)35(3,4)40-36(39-34)30-23-22-27(28-14-8-9-15-29(28)30)24-18-20-25(21-19-24)33-37-31-16-10-11-17-32(31)38(33)26-12-6-5-7-13-26;39-38(40)33-16-8-6-14-31(33)30-23-22-27(28-12-4-5-13-29(28)30)24-18-20-25(21-19-24)35-36-32-15-7-9-17-34(32)37(35)26-10-2-1-3-11-26;36-32-15-7-6-14-31(32)30-23-22-27(28-12-4-5-13-29(28)30)24-18-20-25(21-19-24)35-37-33-16-8-9-17-34(33)38(35)26-10-2-1-3-11-26;30-26-19-18-23(24-10-4-5-11-25(24)26)20-14-16-21(17-15-20)29-31-27-12-6-7-13-28(27)32(29)22-8-2-1-3-9-22;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h5-23H,1-4H3;1-23H;1-23H,36H2;1-19H;5-17H,1-4H3;1-6H
InChIKeyKHCSRZVAFMKFBU-UHFFFAOYSA-N
XLogP43.29
TPSA195.18 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002685.30
LogP ≤ 543.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole with MolForge

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Related Compounds

3,6-dibromophenanthrene;1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthren-3-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 161262634
4-bromobenzaldehyde;2-(4-bromophenyl)-1-phenylbenzimidazole;iodomethane;2-N-phenylbenzene-1,2-diamine;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 159324856
2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 161484378
2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole
CID 135245229
1-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 123164452
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;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;4-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 161477655
2-bromo-1-phenylbenzimidazole;6-(1-phenylbenzimidazol-2-yl)benzo[h]quinoline;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline
CID 159535692
2-[4-(25,25-dimethyl-17-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)phenyl]-1-phenylbenzimidazole
CID 121431147
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
5,8-bis(4-chlorophenyl)quinoline;5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoline;2-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 162014613
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
2-ethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 142719530

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (CID 159132887) is 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc12.Brc1ccc(Br)c2ccccc12.CC1(C)OB(c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.Nc1ccccc1-c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc12.O=[N+]([O-])c1ccccc1-c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
The InChIKey is KHCSRZVAFMKFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31BN2O2.C35H23N3O2.C35H25N3.C29H19BrN2.C25H25BN2O2.C10H6Br2/c1-34(2)35(3,4)40-36(39-34)30-23-22-27(28-14-8-9-15-29(28)30)24-18-20-25(21-19-24)33-37-31-16-10-11-17-32(31)38(33)26-12-6-5-7-13-26;39-38(40)33-16-8-6-14-31(33)30-23-22-27(28-12-4-5-13-29(28)30)24-18-20-25(21-19-24)35-36-32-15-7-9-17-34(32)37(35)26-10-2-1-3-11-26;36-32-15-7-6-14-31(32)30-23-22-27(28-12-4-5-13-29(28)30)24-18-20-25(21-19-24)35-37-33-16-8-9-17-34(33)38(35)26-10-2-1-3-11-26;30-26-19-18-23(24-10-4-5-11-25(24)26)20-14-16-21(17-15-20)29-31-27-12-6-7-13-28(27)32(29)22-8-2-1-3-9-22;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h5-23H,1-4H3;1-23H;1-23H,36H2;1-19H;5-17H,1-4H3;1-6H.
What are the key properties of 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole has a molecular weight of 2685.30 g/mol, XLogP of 43.29, 19 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromonaphthalen-1-yl)phenyl]-1-phenylbenzimidazole;1,4-dibromonaphthalene;2-[4-[4-(2-nitrophenyl)naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline;1-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 159132887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).