2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine

C108H82BBrN10O2 — CID 157355685

IUPAC2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)nc1.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)OC1(C)C.c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)nc5)nc4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C51H35N5.C34H32BNO2.C23H15BrN4/c1-3-13-43(14-4-1)55(46-30-25-36-11-7-8-12-40(36)33-46)45-28-23-38(24-29-45)37-19-21-39(22-20-37)41-26-31-47(52-34-41)42-27-32-49(53-35-42)51-54-48-17-9-10-18-50(48)56(51)44-15-5-2-6-16-44;1-33(2)34(3,4)38-35(37-33)29-19-14-26(15-20-29)27-16-21-31(22-17-27)36(30-12-6-5-7-13-30)32-23-18-25-10-8-9-11-28(25)24-32;24-17-11-13-19(26-15-17)16-10-12-21(25-14-16)23-27-20-8-4-5-9-22(20)28(23)18-6-2-1-3-7-18/h1-35H;5-24H,1-4H3;1-15H
InChIKeyBIBBNXURTFDEOZ-UHFFFAOYSA-N
MW1642.63 g/mol
LogP27.29
Rot. Bonds16

About 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine

2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine (PubChem CID 157355685) has the molecular formula C108H82BBrN10O2 and a molecular weight of 1642.63 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine
PubChem CID157355685
Molecular FormulaC108H82BBrN10O2
Molecular Weight1642.63 g/mol
Exact Mass1640.59
IUPAC Name2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)nc1.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)OC1(C)C.c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)nc5)nc4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C51H35N5.C34H32BNO2.C23H15BrN4/c1-3-13-43(14-4-1)55(46-30-25-36-11-7-8-12-40(36)33-46)45-28-23-38(24-29-45)37-19-21-39(22-20-37)41-26-31-47(52-34-41)42-27-32-49(53-35-42)51-54-48-17-9-10-18-50(48)56(51)44-15-5-2-6-16-44;1-33(2)34(3,4)38-35(37-33)29-19-14-26(15-20-29)27-16-21-31(22-17-27)36(30-12-6-5-7-13-30)32-23-18-25-10-8-9-11-28(25)24-32;24-17-11-13-19(26-15-17)16-10-12-21(25-14-16)23-27-20-8-4-5-9-22(20)28(23)18-6-2-1-3-7-18/h1-35H;5-24H,1-4H3;1-15H
InChIKeyBIBBNXURTFDEOZ-UHFFFAOYSA-N
XLogP27.29
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.63
LogP ≤ 527.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[9,10-Bis[6-(trifluoromethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole;2-[4-[9-[6-(1,1-difluoroethyl)naphthalen-2-yl]-10-[6-(2,2,2-trifluoroethyl)naphthalen-2-yl]anthracen-2-yl]phenyl]-1-[4-(1,1-difluoroethyl)phenyl]benzimidazole;[3-(6-ethyl-3-pyridinyl)-2,4,6-trimethylphenyl]-bis[2,4,6-trimethyl-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]phenyl]borane
CID 161899705
5-Butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole
CID 58250533
3,4-Dimethyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-(6-pyridin-4-yl-2-pyridinyl)-5-azapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2(6),3,7,9,11,14,16,18,20-decaene
CID 58454119
5-[5-[6-[5-(1,2-Diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole
CID 58953615
5-[4-[9,10-Diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole
CID 58953635
7-Methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole
CID 58953636
5-[4-[9,10-Diphenyl-6-(1-pyridin-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1,2-dipyridin-2-ylbenzimidazole
CID 58953638
1-[9,10-Diphenyl-6-(2-pyridin-2-ylbenzimidazol-1-yl)anthracen-2-yl]-2-pyridin-2-ylbenzimidazole
CID 58953654
2-Phenyl-1-[6-(2-phenylbenzimidazol-1-yl)-9,10-dipyridin-2-ylanthracen-2-yl]benzimidazole
CID 58953670
5-[9,10-Diphenyl-6-(2-phenyl-1-pyridin-2-ylbenzimidazol-5-yl)anthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole
CID 58953699
5-[6-[5-(1,2-Diphenylbenzimidazol-5-yl)-2-pyridinyl]-9,10-diphenylanthracen-2-yl]-2-phenyl-1-pyridin-2-ylbenzimidazole
CID 58953722
5-[6-(1,2-Diphenylbenzimidazol-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-1,2-diphenylbenzimidazole
CID 58953729

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine (CID 157355685) is 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine is Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)nc1.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)OC1(C)C.c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)nc5)nc4)cc3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine?
The InChIKey is BIBBNXURTFDEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5.C34H32BNO2.C23H15BrN4/c1-3-13-43(14-4-1)55(46-30-25-36-11-7-8-12-40(36)33-46)45-28-23-38(24-29-45)37-19-21-39(22-20-37)41-26-31-47(52-34-41)42-27-32-49(53-35-42)51-54-48-17-9-10-18-50(48)56(51)44-15-5-2-6-16-44;1-33(2)34(3,4)38-35(37-33)29-19-14-26(15-20-29)27-16-21-31(22-17-27)36(30-12-6-5-7-13-30)32-23-18-25-10-8-9-11-28(25)24-32;24-17-11-13-19(26-15-17)16-10-12-21(25-14-16)23-27-20-8-4-5-9-22(20)28(23)18-6-2-1-3-7-18/h1-35H;5-24H,1-4H3;1-15H.
What are the key properties of 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine?
2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 1642.63 g/mol, XLogP of 27.29, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 157355685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).