4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol

C54H35N3O2 — CID 162783422

IUPAC4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol
SMILESOc1ccc2c(oc3ccccc32)c1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)cccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C54H35N3O2/c58-49-28-27-45-44-22-11-13-26-50(44)59-53(45)51(49)54-56-52-43(23-14-25-48(52)57(54)47-24-12-10-21-42(47)37-19-8-3-9-20-37)40-31-39(36-17-6-2-7-18-36)32-41(33-40)46-34-38(29-30-55-46)35-15-4-1-5-16-35/h1-34,58H
InChIKeyQEUBEWSMWHLERO-UHFFFAOYSA-N
MW757.89 g/mol
LogP14.03
Rot. Bonds7

About 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol

4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol (PubChem CID 162783422) has the molecular formula C54H35N3O2 and a molecular weight of 757.89 g/mol. Its IUPAC name is 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol.

Molecular Properties

Compound Name4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol
PubChem CID162783422
Molecular FormulaC54H35N3O2
Molecular Weight757.89 g/mol
Exact Mass757.27
IUPAC Name4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol
SMILESOc1ccc2c(oc3ccccc32)c1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)cccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C54H35N3O2/c58-49-28-27-45-44-22-11-13-26-50(44)59-53(45)51(49)54-56-52-43(23-14-25-48(52)57(54)47-24-12-10-21-42(47)37-19-8-3-9-20-37)40-31-39(36-17-6-2-7-18-36)32-41(33-40)46-34-38(29-30-55-46)35-15-4-1-5-16-35/h1-34,58H
InChIKeyQEUBEWSMWHLERO-UHFFFAOYSA-N
XLogP14.03
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.89
LogP ≤ 514.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2-phenylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
CID 162783058
4-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]dibenzofuran-3-ol;platinum
CID 162783546
4-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-6-phenyldibenzofuran-3-ol;platinum
CID 170543443
2-[4-[3-[4-(4-benzylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-(4-phenyldibenzofuran-1-yl)benzimidazol-2-yl]phenol
CID 164742366
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
3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]dibenzofuran-2-ol
CID 162783614
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140833221
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165
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
4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164713116
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol?
The IUPAC name of 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol (CID 162783422) is 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol.
What is the SMILES notation for 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol?
The canonical SMILES for 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol is Oc1ccc2c(oc3ccccc32)c1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)cccc2n1-c1ccccc1-c1ccccc1.
What is the InChIKey of 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol?
The InChIKey is QEUBEWSMWHLERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O2/c58-49-28-27-45-44-22-11-13-26-50(44)59-53(45)51(49)54-56-52-43(23-14-25-48(52)57(54)47-24-12-10-21-42(47)37-19-8-3-9-20-37)40-31-39(36-17-6-2-7-18-36)32-41(33-40)46-34-38(29-30-55-46)35-15-4-1-5-16-35/h1-34,58H.
What are the key properties of 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol?
4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol has a molecular weight of 757.89 g/mol, XLogP of 14.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]dibenzofuran-3-ol is sourced from PubChem (CID 162783422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).