2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole

C111H84B2Br3N9O7 — CID 161180077

IUPAC2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole
SMILESBrc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4oc(-c5ccccc5)nc4c3)cc2)cc1.Brc1ccc(-c2nc3ccccc3nc2-c2ccc(Br)cc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc3oc(-c4ccccc4)nc3c2)OC1(C)C
InChIInChI=1S/C39H32BN3O3.C33H20BrN3O.C20H12Br2N2.C19H20BNO3/c1-38(2)39(3,4)46-40(45-38)30-21-18-27(19-22-30)36-35(41-31-12-8-9-13-32(31)42-36)26-16-14-25(15-17-26)29-20-23-34-33(24-29)43-37(44-34)28-10-6-5-7-11-28;34-26-17-14-23(15-18-26)32-31(35-27-8-4-5-9-28(27)36-32)22-12-10-21(11-13-22)25-16-19-30-29(20-25)37-33(38-30)24-6-2-1-3-7-24;21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-18(2)19(3,4)24-20(23-18)14-10-11-16-15(12-14)21-17(22-16)13-8-6-5-7-9-13/h5-24H,1-4H3;1-20H;1-12H;5-12H,1-4H3
InChIKeyUSIGSIIMSYXXNI-UHFFFAOYSA-N
MW1917.28 g/mol
LogP28.22
Rot. Bonds13

About 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole

2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 161180077) has the molecular formula C111H84B2Br3N9O7 and a molecular weight of 1917.28 g/mol. Its IUPAC name is 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole
PubChem CID161180077
Molecular FormulaC111H84B2Br3N9O7
Molecular Weight1917.28 g/mol
Exact Mass1913.42
IUPAC Name2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole
SMILESBrc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4oc(-c5ccccc5)nc4c3)cc2)cc1.Brc1ccc(-c2nc3ccccc3nc2-c2ccc(Br)cc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc3oc(-c4ccccc4)nc3c2)OC1(C)C
InChIInChI=1S/C39H32BN3O3.C33H20BrN3O.C20H12Br2N2.C19H20BNO3/c1-38(2)39(3,4)46-40(45-38)30-21-18-27(19-22-30)36-35(41-31-12-8-9-13-32(31)42-36)26-16-14-25(15-17-26)29-20-23-34-33(24-29)43-37(44-34)28-10-6-5-7-11-28;34-26-17-14-23(15-18-26)32-31(35-27-8-4-5-9-28(27)36-32)22-12-10-21(11-13-22)25-16-19-30-29(20-25)37-33(38-30)24-6-2-1-3-7-24;21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-18(2)19(3,4)24-20(23-18)14-10-11-16-15(12-14)21-17(22-16)13-8-6-5-7-9-13/h5-24H,1-4H3;1-20H;1-12H;5-12H,1-4H3
InChIKeyUSIGSIIMSYXXNI-UHFFFAOYSA-N
XLogP28.22
TPSA192.35 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001917.28
LogP ≤ 528.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole 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-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 68572114
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3,5-triazine;4,5,6-triphenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 158138915
2-bromo-[1]benzofuro[3,2-b]quinoxaline;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 161006202
1-bromo-4-phenylbenzene;methane;4,4,5,5-tetramethyl-2-(4-phenylphenyl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;iodide
CID 158116304
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
2-(3-carbazol-9-ylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 147786465
2,9-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1,3]oxazolo[4,5-b]carbazole
CID 144788220
2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 140812753
5-phenyl-17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086249
1-bromo-4-iodobenzene;bis(3-(4-bromophenyl)phenanthridine);3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158119687
2-bromodibenzofuran;2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158135500
2-[4-(4-bromophenyl)naphthalen-1-yl]-4-phenylquinazoline;4-phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161203620

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole (CID 161180077) is 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole is Brc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4oc(-c5ccccc5)nc4c3)cc2)cc1.Brc1ccc(-c2nc3ccccc3nc2-c2ccc(Br)cc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc5oc(-c6ccccc6)nc5c4)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc3oc(-c4ccccc4)nc3c2)OC1(C)C.
What is the InChIKey of 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is USIGSIIMSYXXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32BN3O3.C33H20BrN3O.C20H12Br2N2.C19H20BNO3/c1-38(2)39(3,4)46-40(45-38)30-21-18-27(19-22-30)36-35(41-31-12-8-9-13-32(31)42-36)26-16-14-25(15-17-26)29-20-23-34-33(24-29)43-37(44-34)28-10-6-5-7-11-28;34-26-17-14-23(15-18-26)32-31(35-27-8-4-5-9-28(27)36-32)22-12-10-21(11-13-22)25-16-19-30-29(20-25)37-33(38-30)24-6-2-1-3-7-24;21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-18(2)19(3,4)24-20(23-18)14-10-11-16-15(12-14)21-17(22-16)13-8-6-5-7-9-13/h5-24H,1-4H3;1-20H;1-12H;5-12H,1-4H3.
What are the key properties of 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole?
2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 1917.28 g/mol, XLogP of 28.22, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-bromophenyl)quinoxaline;5-[4-[3-(4-bromophenyl)quinoxalin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole;2-phenyl-5-[4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoxalin-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 161180077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).