2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

C46H29N3O3 — CID 171596739

IUPAC2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
SMILESOc1cccc2c1-c1nc(-c3cn(-c4ccc5oc6ccccc6c5c4)c(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)n3)ccc1CC2
InChIInChI=1S/C46H29N3O3/c50-39-11-6-9-28-13-14-29-15-19-37(47-45(29)44(28)39)38-26-49(32-18-22-43-36(25-32)33-10-4-5-12-40(33)51-43)46(48-38)31-17-21-42-35(24-31)34-23-30(16-20-41(34)52-42)27-7-2-1-3-8-27/h1-12,15-26,50H,13-14H2
InChIKeyLKLWBGQZMIGUBX-UHFFFAOYSA-N
MW671.76 g/mol
LogP11.54
Rot. Bonds4

About 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (PubChem CID 171596739) has the molecular formula C46H29N3O3 and a molecular weight of 671.76 g/mol. Its IUPAC name is 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.

Molecular Properties

Compound Name2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
PubChem CID171596739
Molecular FormulaC46H29N3O3
Molecular Weight671.76 g/mol
Exact Mass671.22
IUPAC Name2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
SMILESOc1cccc2c1-c1nc(-c3cn(-c4ccc5oc6ccccc6c5c4)c(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)n3)ccc1CC2
InChIInChI=1S/C46H29N3O3/c50-39-11-6-9-28-13-14-29-15-19-37(47-45(29)44(28)39)38-26-49(32-18-22-43-36(25-32)33-10-4-5-12-40(33)51-43)46(48-38)31-17-21-42-35(24-31)34-23-30(16-20-41(34)52-42)27-7-2-1-3-8-27/h1-12,15-26,50H,13-14H2
InChIKeyLKLWBGQZMIGUBX-UHFFFAOYSA-N
XLogP11.54
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.76
LogP ≤ 511.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-dibenzofuran-2-yl-1-phenylimidazol-4-yl)-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596669
2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596701
4-dibenzofuran-2-yl-2-[1-[3,5-di(propan-2-yl)phenyl]-2-(8-phenyldibenzofuran-1-yl)imidazol-4-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol
CID 171596731
2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734333
1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol
CID 171732489
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
2-[1-(2,6-dimethylphenyl)-4-[1-[2-(3,5-dimethylphenyl)-6-phenylphenyl]dibenzofuran-3-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734153
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
2-[4-[1-[2-(3-tert-butylphenyl)-6-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzofuran-3-yl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734170
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906

Frequently Asked Questions

What is the IUPAC name of 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The IUPAC name of 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (CID 171596739) is 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.
What is the SMILES notation for 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The canonical SMILES for 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is Oc1cccc2c1-c1nc(-c3cn(-c4ccc5oc6ccccc6c5c4)c(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)n3)ccc1CC2.
What is the InChIKey of 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The InChIKey is LKLWBGQZMIGUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O3/c50-39-11-6-9-28-13-14-29-15-19-37(47-45(29)44(28)39)38-26-49(32-18-22-43-36(25-32)33-10-4-5-12-40(33)51-43)46(48-38)31-17-21-42-35(24-31)34-23-30(16-20-41(34)52-42)27-7-2-1-3-8-27/h1-12,15-26,50H,13-14H2.
What are the key properties of 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol has a molecular weight of 671.76 g/mol, XLogP of 11.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is sourced from PubChem (CID 171596739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).