2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

C40H35N3O2 — CID 171596701

IUPAC2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C40H35N3O2/c1-23(2)28-11-8-12-29(24(3)4)39(28)43-22-33(32-19-17-26-16-15-25-9-7-13-34(44)37(25)38(26)41-32)42-40(43)27-18-20-36-31(21-27)30-10-5-6-14-35(30)45-36/h5-14,17-24,44H,15-16H2,1-4H3
InChIKeyKQCPSRNGXMTZJR-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.22
Rot. Bonds5

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

2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (PubChem CID 171596701) has the molecular formula C40H35N3O2 and a molecular weight of 589.74 g/mol. Its IUPAC name is 2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.

Molecular Properties

Compound Name2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
PubChem CID171596701
Molecular FormulaC40H35N3O2
Molecular Weight589.74 g/mol
Exact Mass589.27
IUPAC Name2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C40H35N3O2/c1-23(2)28-11-8-12-29(24(3)4)39(28)43-22-33(32-19-17-26-16-15-25-9-7-13-34(44)37(25)38(26)41-32)42-40(43)27-18-20-36-31(21-27)30-10-5-6-14-35(30)45-36/h5-14,17-24,44H,15-16H2,1-4H3
InChIKeyKQCPSRNGXMTZJR-UHFFFAOYSA-N
XLogP10.22
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596739
6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol
CID 170685823
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734260
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
2-[1-(2,6-dimethylphenyl)-4-[1-(2,6-diphenylphenyl)dibenzofuran-3-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734275
2-[4-[4-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-3H-dibenzofuran-3-id-2-yl]-1-(2,6-dimethylphenyl)-5-(2,6-diphenylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol;platinum
CID 171734311
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
1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole
CID 166564056
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The IUPAC name of 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) is 2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.
What is the SMILES notation for 2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The canonical SMILES for 2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is CC(C)c1cccc(C(C)C)c1-n1cc(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc1-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The InChIKey is KQCPSRNGXMTZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N3O2/c1-23(2)28-11-8-12-29(24(3)4)39(28)43-22-33(32-19-17-26-16-15-25-9-7-13-34(44)37(25)38(26)41-32)42-40(43)27-18-20-36-31(21-27)30-10-5-6-14-35(30)45-36/h5-14,17-24,44H,15-16H2,1-4H3.
What are the key properties of 2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol has a molecular weight of 589.74 g/mol, XLogP of 10.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is sourced from PubChem (CID 171596701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).