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

C52H33N3O2 — CID 162784223

IUPAC2-[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
SMILESOc1ccccc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4nccc5c4oc4cc6ccccc6cc45)c3)cccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C52H33N3O2/c56-47-25-12-10-21-43(47)52-54-50-41(22-13-24-46(50)55(52)45-23-11-9-20-40(45)34-16-5-2-6-17-34)38-28-37(33-14-3-1-4-15-33)29-39(30-38)49-51-42(26-27-53-49)44-31-35-18-7-8-19-36(35)32-48(44)57-51/h1-32,56H
InChIKeyBVRUHLCUMWLNBL-UHFFFAOYSA-N
MW731.86 g/mol
LogP13.51
Rot. Bonds6

About 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

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 (PubChem CID 162784223) has the molecular formula C52H33N3O2 and a molecular weight of 731.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID162784223
Molecular FormulaC52H33N3O2
Molecular Weight731.86 g/mol
Exact Mass731.26
IUPAC Name2-[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
SMILESOc1ccccc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4nccc5c4oc4cc6ccccc6cc45)c3)cccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C52H33N3O2/c56-47-25-12-10-21-43(47)52-54-50-41(22-13-24-46(50)55(52)45-23-11-9-20-40(45)34-16-5-2-6-17-34)38-28-37(33-14-3-1-4-15-33)29-39(30-38)49-51-42(26-27-53-49)44-31-35-18-7-8-19-36(35)32-48(44)57-51/h1-32,56H
InChIKeyBVRUHLCUMWLNBL-UHFFFAOYSA-N
XLogP13.51
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 513.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

2-[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-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162784295
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
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-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 162783136
4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol
CID 162783422
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol
CID 164742898
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-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-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162782855
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-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol
CID 164742366
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
1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934132
2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162783231

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1ccccc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4nccc5c4oc4cc6ccccc6cc45)c3)cccc2n1-c1ccccc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is BVRUHLCUMWLNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2/c56-47-25-12-10-21-43(47)52-54-50-41(22-13-24-46(50)55(52)45-23-11-9-20-40(45)34-16-5-2-6-17-34)38-28-37(33-14-3-1-4-15-33)29-39(30-38)49-51-42(26-27-53-49)44-31-35-18-7-8-19-36(35)32-48(44)57-51/h1-32,56H.
What are the key properties of 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?
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 has a molecular weight of 731.86 g/mol, XLogP of 13.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162784223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).