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

C100H70BBrN10O4 — CID 161006202

IUPAC2-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
SMILESBrc1ccc2oc3nc4ccccc4nc3c2c1.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c2)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7oc8nc9ccccc9nc8c7c6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C47H29N5O.C39H34BN3O2.C14H7BrN2O/c1-3-11-30(12-4-1)31-21-23-33(24-22-31)45-50-44(32-13-5-2-6-14-32)51-46(52-45)38-18-10-17-36(28-38)34-15-9-16-35(27-34)37-25-26-42-39(29-37)43-47(53-42)49-41-20-8-7-19-40(41)48-43;1-38(2)39(3,4)45-40(44-38)34-20-12-18-32(26-34)31-17-11-19-33(25-31)37-42-35(29-15-9-6-10-16-29)41-36(43-37)30-23-21-28(22-24-30)27-13-7-5-8-14-27;15-8-5-6-12-9(7-8)13-14(18-12)17-11-4-2-1-3-10(11)16-13/h1-29H;5-26H,1-4H3;1-7H
InChIKeyTWNMDXDEWINLRE-UHFFFAOYSA-N
MW1566.44 g/mol
LogP24.51
Rot. Bonds12

About 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

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 (PubChem CID 161006202) has the molecular formula C100H70BBrN10O4 and a molecular weight of 1566.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID161006202
Molecular FormulaC100H70BBrN10O4
Molecular Weight1566.44 g/mol
Exact Mass1564.49
IUPAC Name2-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
SMILESBrc1ccc2oc3nc4ccccc4nc3c2c1.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c2)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7oc8nc9ccccc9nc8c7c6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C47H29N5O.C39H34BN3O2.C14H7BrN2O/c1-3-11-30(12-4-1)31-21-23-33(24-22-31)45-50-44(32-13-5-2-6-14-32)51-46(52-45)38-18-10-17-36(28-38)34-15-9-16-35(27-34)37-25-26-42-39(29-37)43-47(53-42)49-41-20-8-7-19-40(41)48-43;1-38(2)39(3,4)45-40(44-38)34-20-12-18-32(26-34)31-17-11-19-33(25-31)37-42-35(29-15-9-6-10-16-29)41-36(43-37)30-23-21-28(22-24-30)27-13-7-5-8-14-27;15-8-5-6-12-9(7-8)13-14(18-12)17-11-4-2-1-3-10(11)16-13/h1-29H;5-26H,1-4H3;1-7H
InChIKeyTWNMDXDEWINLRE-UHFFFAOYSA-N
XLogP24.51
TPSA173.64 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001566.44
LogP ≤ 524.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-phenyl-4-(3-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140815451
2-(8-bromodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 157145103
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
1-bromo-3-(3-bromophenyl)benzene;3,6-dibromo-9-phenylcarbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 159669749
11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 159598510
2-[3-(3-bromophenyl)phenyl]-4-phenylquinazoline;4-phenyl-2-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159010808
2-phenyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
CID 164779820
2-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 161309558
4-bromodibenzofuran;2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;methane;iodide
CID 159504948
2-methyl-4-phenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 176842902
11-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 159679472

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2oc3nc4ccccc4nc3c2c1.CC1(C)OB(c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c2)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7oc8nc9ccccc9nc8c7c6)c5)c4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is TWNMDXDEWINLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5O.C39H34BN3O2.C14H7BrN2O/c1-3-11-30(12-4-1)31-21-23-33(24-22-31)45-50-44(32-13-5-2-6-14-32)51-46(52-45)38-18-10-17-36(28-38)34-15-9-16-35(27-34)37-25-26-42-39(29-37)43-47(53-42)49-41-20-8-7-19-40(41)48-43;1-38(2)39(3,4)45-40(44-38)34-20-12-18-32(26-34)31-17-11-19-33(25-31)37-42-35(29-15-9-6-10-16-29)41-36(43-37)30-23-21-28(22-24-30)27-13-7-5-8-14-27;15-8-5-6-12-9(7-8)13-14(18-12)17-11-4-2-1-3-10(11)16-13/h1-29H;5-26H,1-4H3;1-7H.
What are the key properties of 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?
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 has a molecular weight of 1566.44 g/mol, XLogP of 24.51, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161006202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).