2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide

C200H138N12O5S — CID 159654620

IUPAC2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)cn3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4cc5oc(-c6ccc(-c7ccccc7)cc6)nc5cc4o3)cc2)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1.c1ccc(-c2ccc(C3=Nc4cc5nc(-c6ccc(-c7ccccc7)cc6)[nH]c5cc4C3)cc2)cc1
InChIInChI=1S/C33H23N3.C32H20N2O2.C29H21N.2C28H20N2.C26H18N2O.C24H16O2S/c1-3-7-22(8-4-1)24-11-15-26(16-12-24)29-19-28-20-31-32(21-30(28)34-29)36-33(35-31)27-17-13-25(14-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)31-33-27-19-30-28(20-29(27)35-31)34-32(36-30)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-22(8-4-1)24-11-13-26(14-12-24)28-19-20-29(30-21-28)27-17-15-25(16-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-30-28(20-29-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-21(8-4-1)23-11-13-25(14-12-23)27-19-29-28(30-20-27)26-17-15-24(16-18-26)22-9-5-2-6-10-22;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20;25-27(26)23-15-19(17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)27)18-9-5-2-6-10-18/h1-18,20-21H,19H2,(H,35,36);1-20H;1-21H;2*1-20H;1-18H;1-16H
InChIKeyMSAAHXAGPWZJCA-UHFFFAOYSA-N
MW2821.45 g/mol
LogP51.49
Rot. Bonds26

About 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide

2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide (PubChem CID 159654620) has the molecular formula C200H138N12O5S and a molecular weight of 2821.45 g/mol. Its IUPAC name is 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide
PubChem CID159654620
Molecular FormulaC200H138N12O5S
Molecular Weight2821.45 g/mol
Exact Mass2819.06
IUPAC Name2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)cn3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4cc5oc(-c6ccc(-c7ccccc7)cc6)nc5cc4o3)cc2)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1.c1ccc(-c2ccc(C3=Nc4cc5nc(-c6ccc(-c7ccccc7)cc6)[nH]c5cc4C3)cc2)cc1
InChIInChI=1S/C33H23N3.C32H20N2O2.C29H21N.2C28H20N2.C26H18N2O.C24H16O2S/c1-3-7-22(8-4-1)24-11-15-26(16-12-24)29-19-28-20-31-32(21-30(28)34-29)36-33(35-31)27-17-13-25(14-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)31-33-27-19-30-28(20-29(27)35-31)34-32(36-30)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-22(8-4-1)24-11-13-26(14-12-24)28-19-20-29(30-21-28)27-17-15-25(16-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-30-28(20-29-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-21(8-4-1)23-11-13-25(14-12-23)27-19-29-28(30-20-27)26-17-15-24(16-18-26)22-9-5-2-6-10-22;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20;25-27(26)23-15-19(17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)27)18-9-5-2-6-10-18/h1-18,20-21H,19H2,(H,35,36);1-20H;1-21H;2*1-20H;1-18H;1-16H
InChIKeyMSAAHXAGPWZJCA-UHFFFAOYSA-N
XLogP51.49
TPSA230.61 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002821.45
LogP ≤ 551.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide?
The IUPAC name of 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide (CID 159654620) is 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide?
The canonical SMILES for 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide is O=S1(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)cn3)cc2)cc1.c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccccc5)cc4)nc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4cc5oc(-c6ccc(-c7ccccc7)cc6)nc5cc4o3)cc2)cc1.c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1.c1ccc(-c2ccc(C3=Nc4cc5nc(-c6ccc(-c7ccccc7)cc6)[nH]c5cc4C3)cc2)cc1.
What is the InChIKey of 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide?
The InChIKey is MSAAHXAGPWZJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3.C32H20N2O2.C29H21N.2C28H20N2.C26H18N2O.C24H16O2S/c1-3-7-22(8-4-1)24-11-15-26(16-12-24)29-19-28-20-31-32(21-30(28)34-29)36-33(35-31)27-17-13-25(14-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)31-33-27-19-30-28(20-29(27)35-31)34-32(36-30)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-22(8-4-1)24-11-13-26(14-12-24)28-19-20-29(30-21-28)27-17-15-25(16-18-27)23-9-5-2-6-10-23;1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-30-28(20-29-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22;1-3-7-21(8-4-1)23-11-13-25(14-12-23)27-19-29-28(30-20-27)26-17-15-24(16-18-26)22-9-5-2-6-10-22;1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20;25-27(26)23-15-19(17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)27)18-9-5-2-6-10-18/h1-18,20-21H,19H2,(H,35,36);1-20H;1-21H;2*1-20H;1-18H;1-16H.
What are the key properties of 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide?
2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide has a molecular weight of 2821.45 g/mol, XLogP of 51.49, 26 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-phenylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole;2,6-bis(4-phenylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2,5-bis(4-phenylphenyl)pyrazine;2,5-bis(4-phenylphenyl)pyridine;2,5-bis(4-phenylphenyl)pyrimidine;3,7-diphenyldibenzothiophene 5,5-dioxide is sourced from PubChem (CID 159654620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).