2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol

C42H43N3O — CID 170685833

IUPAC2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(-c2cccc3ccccc23)nc1-c1ccc2c(n1)-c1c(O)cccc1C(C)(C)C2(C)C
InChIInChI=1S/C42H43N3O/c1-25(2)28-17-12-18-29(26(3)4)39(28)45-24-35(31-19-11-15-27-14-9-10-16-30(27)31)44-40(45)34-23-22-33-38(43-34)37-32(20-13-21-36(37)46)41(5,6)42(33,7)8/h9-26,46H,1-8H3
InChIKeyDWXXTBPYTGGEAT-UHFFFAOYSA-N
MW605.83 g/mol
LogP10.94
Rot. Bonds5

About 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol

2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol (PubChem CID 170685833) has the molecular formula C42H43N3O and a molecular weight of 605.83 g/mol. Its IUPAC name is 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol.

Molecular Properties

Compound Name2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol
PubChem CID170685833
Molecular FormulaC42H43N3O
Molecular Weight605.83 g/mol
Exact Mass605.34
IUPAC Name2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(-c2cccc3ccccc23)nc1-c1ccc2c(n1)-c1c(O)cccc1C(C)(C)C2(C)C
InChIInChI=1S/C42H43N3O/c1-25(2)28-17-12-18-29(26(3)4)39(28)45-24-35(31-19-11-15-27-14-9-10-16-30(27)31)44-40(45)34-23-22-33-38(43-34)37-32(20-13-21-36(37)46)41(5,6)42(33,7)8/h9-26,46H,1-8H3
InChIKeyDWXXTBPYTGGEAT-UHFFFAOYSA-N
XLogP10.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.83
LogP ≤ 510.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol
CID 170685823
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-[1-[2,6-di(propan-2-yl)phenyl]-4-(3-quinolin-2-ylbenzene-2-id-1-yl)imidazol-2-yl]phenol;platinum
CID 171420086
2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum
CID 171734212
2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol
CID 170685780
2-[4-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 171438742
N-[2,6-di(propan-2-yl)phenyl]-6-naphthalen-1-ylpyridin-2-amine
CID 22292706
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
CID 167269648
2-[4-[3-(3-methylindazol-1-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 162491770
1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole
CID 159190073
N-[1-(6-naphthalen-1-yl-2-pyridinyl)pentyl]-2,6-di(propan-2-yl)aniline
CID 20637516
2-(6-methyl-2-pyridinyl)-6-propan-2-ylphenol
CID 157481244

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol?
The IUPAC name of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol (CID 170685833) is 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol.
What is the SMILES notation for 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol?
The canonical SMILES for 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol is CC(C)c1cccc(C(C)C)c1-n1cc(-c2cccc3ccccc23)nc1-c1ccc2c(n1)-c1c(O)cccc1C(C)(C)C2(C)C.
What is the InChIKey of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol?
The InChIKey is DWXXTBPYTGGEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43N3O/c1-25(2)28-17-12-18-29(26(3)4)39(28)45-24-35(31-19-11-15-27-14-9-10-16-30(27)31)44-40(45)34-23-22-33-38(43-34)37-32(20-13-21-36(37)46)41(5,6)42(33,7)8/h9-26,46H,1-8H3.
What are the key properties of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol?
2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol has a molecular weight of 605.83 g/mol, XLogP of 10.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,6-di(propan-2-yl)phenyl]-4-naphthalen-1-ylimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol is sourced from PubChem (CID 170685833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).