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

C62H53N3O3 — CID 171596731

IUPAC4-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
SMILESCC(C)c1cc(C(C)C)cc(-n2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)c4c(n3)-c3c(O)cccc3C(C)(C)C4(C)C)nc2-c2cccc3oc4ccc(-c5ccccc5)cc4c23)c1
InChIInChI=1S/C62H53N3O3/c1-35(2)40-28-41(36(3)4)30-42(29-40)65-34-50(64-60(65)44-19-14-23-55-56(44)47-31-38(24-26-54(47)68-55)37-16-10-9-11-17-37)49-33-45(39-25-27-53-46(32-39)43-18-12-13-22-52(43)67-53)58-59(63-49)57-48(20-15-21-51(57)66)61(5,6)62(58,7)8/h9-36,66H,1-8H3
InChIKeyOIPZZHBYDABKRZ-UHFFFAOYSA-N
MW888.12 g/mol
LogP16.92
Rot. Bonds7

About 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

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 (PubChem CID 171596731) has the molecular formula C62H53N3O3 and a molecular weight of 888.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID171596731
Molecular FormulaC62H53N3O3
Molecular Weight888.12 g/mol
Exact Mass887.41
IUPAC Name4-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
SMILESCC(C)c1cc(C(C)C)cc(-n2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)c4c(n3)-c3c(O)cccc3C(C)(C)C4(C)C)nc2-c2cccc3oc4ccc(-c5ccccc5)cc4c23)c1
InChIInChI=1S/C62H53N3O3/c1-35(2)40-28-41(36(3)4)30-42(29-40)65-34-50(64-60(65)44-19-14-23-55-56(44)47-31-38(24-26-54(47)68-55)37-16-10-9-11-17-37)49-33-45(39-25-27-53-46(32-39)43-18-12-13-22-52(43)67-53)58-59(63-49)57-48(20-15-21-51(57)66)61(5,6)62(58,7)8/h9-36,66H,1-8H3
InChIKeyOIPZZHBYDABKRZ-UHFFFAOYSA-N
XLogP16.92
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.12
LogP ≤ 516.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596739
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
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170010934
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369552
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369077
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002678
2-dibenzofuran-1-yl-4-phenyl-6-(20,20,21,21-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)-1,3,5-triazine
CID 163495186
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734878
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(C)C)cc(-n2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)c4c(n3)-c3c(O)cccc3C(C)(C)C4(C)C)nc2-c2cccc3oc4ccc(-c5ccccc5)cc4c23)c1.
What is the InChIKey of 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?
The InChIKey is OIPZZHBYDABKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53N3O3/c1-35(2)40-28-41(36(3)4)30-42(29-40)65-34-50(64-60(65)44-19-14-23-55-56(44)47-31-38(24-26-54(47)68-55)37-16-10-9-11-17-37)49-33-45(39-25-27-53-46(32-39)43-18-12-13-22-52(43)67-53)58-59(63-49)57-48(20-15-21-51(57)66)61(5,6)62(58,7)8/h9-36,66H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 888.12 g/mol, XLogP of 16.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171596731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).