2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol

C61H41N3O2 — CID 164742366

IUPAC2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(Cc6ccccc6)cc5)ccn4)c3)cccc2n1-c1ccc(-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C61H41N3O2/c65-56-25-12-10-21-51(56)61-63-59-49(23-14-24-55(59)64(61)54-32-31-50(44-19-8-3-9-20-44)60-58(54)52-22-11-13-26-57(52)66-60)47-36-46(42-17-6-2-7-18-42)37-48(38-47)53-39-45(33-34-62-53)43-29-27-41(28-30-43)35-40-15-4-1-5-16-40/h1-34,36-39,65H,35H2
InChIKeyYWRUSNDMUVSYDM-UHFFFAOYSA-N
MW848.02 g/mol
LogP15.62
Rot. Bonds9

About 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol

2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol (PubChem CID 164742366) has the molecular formula C61H41N3O2 and a molecular weight of 848.02 g/mol. Its IUPAC name is 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol
PubChem CID164742366
Molecular FormulaC61H41N3O2
Molecular Weight848.02 g/mol
Exact Mass847.32
IUPAC Name2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(Cc6ccccc6)cc5)ccn4)c3)cccc2n1-c1ccc(-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C61H41N3O2/c65-56-25-12-10-21-51(56)61-63-59-49(23-14-24-55(59)64(61)54-32-31-50(44-19-8-3-9-20-44)60-58(54)52-22-11-13-26-57(52)66-60)47-36-46(42-17-6-2-7-18-42)37-48(38-47)53-39-45(33-34-62-53)43-29-27-41(28-30-43)35-40-15-4-1-5-16-40/h1-34,36-39,65H,35H2
InChIKeyYWRUSNDMUVSYDM-UHFFFAOYSA-N
XLogP15.62
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.02
LogP ≤ 515.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
2-[1-(4-phenyldibenzofuran-1-yl)-4-[3-phenyl-5-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 164743280
4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol
CID 162783422
2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 153476525
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(3-benzylphenyl)phenyl]-1-phenylbenzimidazol-2-yl]-6-phenylphenol
CID 164742898
2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 153481572
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-(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-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153476201
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
3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]dibenzofuran-2-ol
CID 162783614
2-[4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylphenyl]-1-[4-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 153479009

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol (CID 164742366) is 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol is Oc1ccccc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(Cc6ccccc6)cc5)ccn4)c3)cccc2n1-c1ccc(-c2ccccc2)c2oc3ccccc3c12.
What is the InChIKey of 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol?
The InChIKey is YWRUSNDMUVSYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3O2/c65-56-25-12-10-21-51(56)61-63-59-49(23-14-24-55(59)64(61)54-32-31-50(44-19-8-3-9-20-44)60-58(54)52-22-11-13-26-57(52)66-60)47-36-46(42-17-6-2-7-18-42)37-48(38-47)53-39-45(33-34-62-53)43-29-27-41(28-30-43)35-40-15-4-1-5-16-40/h1-34,36-39,65H,35H2.
What are the key properties of 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol?
2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol has a molecular weight of 848.02 g/mol, XLogP of 15.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 164742366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).