2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole

C129H83N15O — CID 161432773

IUPAC2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5ccccc5-c5ccccc5)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N5.C41H25N5O.C41H27N5/c1-5-15-32(16-6-1)37-27-38(33-17-7-2-8-18-33)29-39(28-37)36-25-26-43-44(30-36)51-42-24-14-13-23-40(42)49-47(51)52(43)45-31-41(34-19-9-3-10-20-34)48-46(50-45)35-21-11-4-12-22-35;1-3-12-26(13-4-1)33-25-38(44-40(42-33)27-14-5-2-6-15-27)46-35-23-22-28(24-36(35)45-34-20-9-8-19-32(34)43-41(45)46)29-17-11-18-31-30-16-7-10-21-37(30)47-39(29)31;1-4-14-28(15-5-1)32-20-10-11-21-33(32)31-24-25-37-38(26-31)45-36-23-13-12-22-34(36)43-41(45)46(37)39-27-35(29-16-6-2-7-17-29)42-40(44-39)30-18-8-3-9-19-30/h1-31H;1-25H;1-27H
InChIKeyVYFYDKHEXZKCJM-UHFFFAOYSA-N
MW1859.19 g/mol
LogP31.57
Rot. Bonds15

About 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole

2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 161432773) has the molecular formula C129H83N15O and a molecular weight of 1859.19 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID161432773
Molecular FormulaC129H83N15O
Molecular Weight1859.19 g/mol
Exact Mass1857.69
IUPAC Name2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5ccccc5-c5ccccc5)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N5.C41H25N5O.C41H27N5/c1-5-15-32(16-6-1)37-27-38(33-17-7-2-8-18-33)29-39(28-37)36-25-26-43-44(30-36)51-42-24-14-13-23-40(42)49-47(51)52(43)45-31-41(34-19-9-3-10-20-34)48-46(50-45)35-21-11-4-12-22-35;1-3-12-26(13-4-1)33-25-38(44-40(42-33)27-14-5-2-6-15-27)46-35-23-22-28(24-36(35)45-34-20-9-8-19-32(34)43-41(45)46)29-17-11-18-31-30-16-7-10-21-37(30)47-39(29)31;1-4-14-28(15-5-1)32-20-10-11-21-33(32)31-24-25-37-38(26-31)45-36-23-13-12-22-34(36)43-41(45)46(37)39-27-35(29-16-6-2-7-17-29)42-40(44-39)30-18-8-3-9-19-30/h1-31H;1-25H;1-27H
InChIKeyVYFYDKHEXZKCJM-UHFFFAOYSA-N
XLogP31.57
TPSA157.17 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.19
LogP ≤ 531.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 159706293
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole
CID 135248664
5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248630
1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole
CID 142568974
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
CID 138463130
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole (CID 161432773) is 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5ccccc5-c5ccccc5)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is VYFYDKHEXZKCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5.C41H25N5O.C41H27N5/c1-5-15-32(16-6-1)37-27-38(33-17-7-2-8-18-33)29-39(28-37)36-25-26-43-44(30-36)51-42-24-14-13-23-40(42)49-47(51)52(43)45-31-41(34-19-9-3-10-20-34)48-46(50-45)35-21-11-4-12-22-35;1-3-12-26(13-4-1)33-25-38(44-40(42-33)27-14-5-2-6-15-27)46-35-23-22-28(24-36(35)45-34-20-9-8-19-32(34)43-41(45)46)29-17-11-18-31-30-16-7-10-21-37(30)47-39(29)31;1-4-14-28(15-5-1)32-20-10-11-21-33(32)31-24-25-37-38(26-31)45-36-23-13-12-22-34(36)43-41(45)46(37)39-27-35(29-16-6-2-7-17-29)42-40(44-39)30-18-8-3-9-19-30/h1-31H;1-25H;1-27H.
What are the key properties of 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1859.19 g/mol, XLogP of 31.57, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 161432773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).