6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol

C38H35N3O — CID 170685823

IUPAC6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(-c2cccc3cccnc23)nc1-c1ccc2c(c1)-c1c(O)cccc1CC2
InChIInChI=1S/C38H35N3O/c1-23(2)29-12-7-13-30(24(3)4)37(29)41-22-33(31-14-5-10-27-11-8-20-39-36(27)31)40-38(41)28-19-17-25-16-18-26-9-6-15-34(42)35(26)32(25)21-28/h5-15,17,19-24,42H,16,18H2,1-4H3
InChIKeyDRBZHHPVHXUDPC-UHFFFAOYSA-N
MW549.72 g/mol
LogP9.47
Rot. Bonds5

About 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol

6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol (PubChem CID 170685823) has the molecular formula C38H35N3O and a molecular weight of 549.72 g/mol. Its IUPAC name is 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol.

Molecular Properties

Compound Name6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol
PubChem CID170685823
Molecular FormulaC38H35N3O
Molecular Weight549.72 g/mol
Exact Mass549.28
IUPAC Name6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(-c2cccc3cccnc23)nc1-c1ccc2c(c1)-c1c(O)cccc1CC2
InChIInChI=1S/C38H35N3O/c1-23(2)29-12-7-13-30(24(3)4)37(29)41-22-33(31-14-5-10-27-11-8-20-39-36(27)31)40-38(41)28-19-17-25-16-18-26-9-6-15-34(42)35(26)32(25)21-28/h5-15,17,19-24,42H,16,18H2,1-4H3
InChIKeyDRBZHHPVHXUDPC-UHFFFAOYSA-N
XLogP9.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.72
LogP ≤ 59.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol
CID 170685780
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-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol
CID 164772240
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
2-[4-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenol
CID 171438742
2-(2-dibenzofuran-2-yl-1-phenylimidazol-4-yl)-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596669
2-[1-(2,6-diphenylphenyl)-4-quinolin-8-ylimidazol-2-yl]-1H-phenanthridin-1-id-10-ol;platinum
CID 170685809
2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596739
dimethyltin;bis(quinolin-8-ol)
CID 50910182
methanol;quinolin-8-ol
CID 161490698
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol?
The IUPAC name of 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol (CID 170685823) is 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol.
What is the SMILES notation for 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol?
The canonical SMILES for 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol is CC(C)c1cccc(C(C)C)c1-n1cc(-c2cccc3cccnc23)nc1-c1ccc2c(c1)-c1c(O)cccc1CC2.
What is the InChIKey of 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol?
The InChIKey is DRBZHHPVHXUDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N3O/c1-23(2)29-12-7-13-30(24(3)4)37(29)41-22-33(31-14-5-10-27-11-8-20-39-36(27)31)40-38(41)28-19-17-25-16-18-26-9-6-15-34(42)35(26)32(25)21-28/h5-15,17,19-24,42H,16,18H2,1-4H3.
What are the key properties of 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol?
6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol has a molecular weight of 549.72 g/mol, XLogP of 9.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol is sourced from PubChem (CID 170685823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).