2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol

C56H41N3O2 — CID 162783177

IUPAC2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc6oc7ccc8ccccc8c7c6cn5)c4)cccc32)c(-c2ccccc2)c1
InChIInChI=1S/C56H41N3O2/c1-56(2,3)41-26-27-48(45(32-41)36-17-8-5-9-18-36)59-49-23-14-22-43(54(49)58-55(59)44-21-12-13-24-50(44)60)39-29-38(35-15-6-4-7-16-35)30-40(31-39)47-33-52-46(34-57-47)53-42-20-11-10-19-37(42)25-28-51(53)61-52/h4-34,60H,1-3H3
InChIKeyHGFMSQDWMCVQDH-UHFFFAOYSA-N
MW787.96 g/mol
LogP14.81
Rot. Bonds6

About 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol (PubChem CID 162783177) has the molecular formula C56H41N3O2 and a molecular weight of 787.96 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol
PubChem CID162783177
Molecular FormulaC56H41N3O2
Molecular Weight787.96 g/mol
Exact Mass787.32
IUPAC Name2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc6oc7ccc8ccccc8c7c6cn5)c4)cccc32)c(-c2ccccc2)c1
InChIInChI=1S/C56H41N3O2/c1-56(2,3)41-26-27-48(45(32-41)36-17-8-5-9-18-36)59-49-23-14-22-43(54(49)58-55(59)44-21-12-13-24-50(44)60)39-29-38(35-15-6-4-7-16-35)30-40(31-39)47-33-52-46(34-57-47)53-42-20-11-10-19-37(42)25-28-51(53)61-52/h4-34,60H,1-3H3
InChIKeyHGFMSQDWMCVQDH-UHFFFAOYSA-N
XLogP14.81
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.96
LogP ≤ 514.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-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),2,4,6,8,12,14,16-octaen-15-yl)-5-(2-phenylpropan-2-yl)phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162783391
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-15-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783662
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol
CID 176622942
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783113
2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 162783777
2-[1-(4-tert-butyl-2-phenylphenyl)-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)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 162783080
2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153476201
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
4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 176593352
2-[4-(18-tert-butyl-26-oxa-6,14-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaen-10-yl)-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164734249
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-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-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 162783400
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol?
The IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol (CID 162783177) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc6oc7ccc8ccccc8c7c6cn5)c4)cccc32)c(-c2ccccc2)c1.
What is the InChIKey of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol?
The InChIKey is HGFMSQDWMCVQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3O2/c1-56(2,3)41-26-27-48(45(32-41)36-17-8-5-9-18-36)59-49-23-14-22-43(54(49)58-55(59)44-21-12-13-24-50(44)60)39-29-38(35-15-6-4-7-16-35)30-40(31-39)47-33-52-46(34-57-47)53-42-20-11-10-19-37(42)25-28-51(53)61-52/h4-34,60H,1-3H3.
What are the key properties of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol?
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol has a molecular weight of 787.96 g/mol, XLogP of 14.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 162783177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).