2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol

C55H37N3O2 — CID 164742898

IUPAC2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1-c1nc2c(-c3cc(-c4cccc(Cc5ccccc5)c4)cc(-c4nccc5c4oc4ccccc45)c3)cccc2n1-c1ccccc1
InChIInChI=1S/C55H37N3O2/c59-53-45(38-18-6-2-7-19-38)25-13-26-48(53)55-57-52-44(24-14-27-49(52)58(55)43-21-8-3-9-22-43)41-33-40(39-20-12-17-37(32-39)31-36-15-4-1-5-16-36)34-42(35-41)51-54-47(29-30-56-51)46-23-10-11-28-50(46)60-54/h1-30,32-35,59H,31H2
InChIKeyVRJNKHUUEDMFBG-UHFFFAOYSA-N
MW771.92 g/mol
LogP13.95
Rot. Bonds8

About 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol

2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol (PubChem CID 164742898) has the molecular formula C55H37N3O2 and a molecular weight of 771.92 g/mol. Its IUPAC name is 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol.

Molecular Properties

Compound Name2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol
PubChem CID164742898
Molecular FormulaC55H37N3O2
Molecular Weight771.92 g/mol
Exact Mass771.29
IUPAC Name2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1-c1nc2c(-c3cc(-c4cccc(Cc5ccccc5)c4)cc(-c4nccc5c4oc4ccccc45)c3)cccc2n1-c1ccccc1
InChIInChI=1S/C55H37N3O2/c59-53-45(38-18-6-2-7-19-38)25-13-26-48(53)55-57-52-44(24-14-27-49(52)58(55)43-21-8-3-9-22-43)41-33-40(39-20-12-17-37(32-39)31-36-15-4-1-5-16-36)34-42(35-41)51-54-47(29-30-56-51)46-23-10-11-28-50(46)60-54/h1-30,32-35,59H,31H2
InChIKeyVRJNKHUUEDMFBG-UHFFFAOYSA-N
XLogP13.95
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.92
LogP ≤ 513.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-15-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162784223
2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol
CID 164742366
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-tert-butylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 162783195
2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783397
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-12-yl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783704
4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol
CID 162783422
3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]dibenzofuran-2-ol
CID 162783614
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934309
2,4-ditert-butyl-6-[4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 162784022
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934313
2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-12-yl)-5-(2-phenylpropan-2-yl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783165

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol?
The IUPAC name of 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol (CID 164742898) is 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol.
What is the SMILES notation for 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol?
The canonical SMILES for 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol is Oc1c(-c2ccccc2)cccc1-c1nc2c(-c3cc(-c4cccc(Cc5ccccc5)c4)cc(-c4nccc5c4oc4ccccc45)c3)cccc2n1-c1ccccc1.
What is the InChIKey of 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol?
The InChIKey is VRJNKHUUEDMFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O2/c59-53-45(38-18-6-2-7-19-38)25-13-26-48(53)55-57-52-44(24-14-27-49(52)58(55)43-21-8-3-9-22-43)41-33-40(39-20-12-17-37(32-39)31-36-15-4-1-5-16-36)34-42(35-41)51-54-47(29-30-56-51)46-23-10-11-28-50(46)60-54/h1-30,32-35,59H,31H2.
What are the key properties of 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol?
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol has a molecular weight of 771.92 g/mol, XLogP of 13.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol is sourced from PubChem (CID 164742898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).