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

C37H32N4O — CID 170685780

IUPAC2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(-c2cccc3cccnc23)nc1-c1ccc2ncc3cccc(O)c3c2c1
InChIInChI=1S/C37H32N4O/c1-22(2)27-12-7-13-28(23(3)4)36(27)41-21-32(29-14-5-9-24-11-8-18-38-35(24)29)40-37(41)25-16-17-31-30(19-25)34-26(20-39-31)10-6-15-33(34)42/h5-23,42H,1-4H3
InChIKeyFKIORIKKIBAMOY-UHFFFAOYSA-N
MW548.69 g/mol
LogP9.41
Rot. Bonds5

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

2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol (PubChem CID 170685780) has the molecular formula C37H32N4O and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol.

Molecular Properties

Compound Name2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol
PubChem CID170685780
Molecular FormulaC37H32N4O
Molecular Weight548.69 g/mol
Exact Mass548.26
IUPAC Name2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(-c2cccc3cccnc23)nc1-c1ccc2ncc3cccc(O)c3c2c1
InChIInChI=1S/C37H32N4O/c1-22(2)27-12-7-13-28(23(3)4)36(27)41-21-32(29-14-5-9-24-11-8-18-38-35(24)29)40-37(41)25-16-17-31-30(19-25)34-26(20-39-31)10-6-15-33(34)42/h5-23,42H,1-4H3
InChIKeyFKIORIKKIBAMOY-UHFFFAOYSA-N
XLogP9.41
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 59.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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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-[1-(2,6-diphenylphenyl)-4-quinolin-8-ylimidazol-2-yl]-1H-phenanthridin-1-id-10-ol;platinum
CID 170685809
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-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596701
8-(2-methylbenzotriazol-5-yl)quinoline
CID 140989740
8-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)quinoline
CID 169418235
(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol
CID 95188258
dimethyltin;bis(quinolin-8-ol)
CID 50910182
6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol
CID 146549143
methanol;quinolin-8-ol
CID 161490698

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol?
The IUPAC name of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol (CID 170685780) is 2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol.
What is the SMILES notation for 2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol?
The canonical SMILES for 2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol is CC(C)c1cccc(C(C)C)c1-n1cc(-c2cccc3cccnc23)nc1-c1ccc2ncc3cccc(O)c3c2c1.
What is the InChIKey of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol?
The InChIKey is FKIORIKKIBAMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O/c1-22(2)27-12-7-13-28(23(3)4)36(27)41-21-32(29-14-5-9-24-11-8-18-38-35(24)29)40-37(41)25-16-17-31-30(19-25)34-26(20-39-31)10-6-15-33(34)42/h5-23,42H,1-4H3.
What are the key properties of 2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol?
2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol has a molecular weight of 548.69 g/mol, XLogP of 9.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol is sourced from PubChem (CID 170685780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).