2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol

C34H30N2O — CID 164772240

IUPAC2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(-c2ccc3cccc(O)c3n2)cc2c1ccc1cccnc12
InChIInChI=1S/C34H30N2O/c1-20(2)25-10-6-11-26(21(3)4)32(25)28-18-24(30-16-14-23-8-5-12-31(37)34(23)36-30)19-29-27(28)15-13-22-9-7-17-35-33(22)29/h5-21,37H,1-4H3
InChIKeyPDGYBVNVBJZGEG-UHFFFAOYSA-N
MW482.63 g/mol
LogP9.22
Rot. Bonds4

About 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol

2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol (PubChem CID 164772240) has the molecular formula C34H30N2O and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol
PubChem CID164772240
Molecular FormulaC34H30N2O
Molecular Weight482.63 g/mol
Exact Mass482.24
IUPAC Name2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(-c2ccc3cccc(O)c3n2)cc2c1ccc1cccnc12
InChIInChI=1S/C34H30N2O/c1-20(2)25-10-6-11-26(21(3)4)32(25)28-18-24(30-16-14-23-8-5-12-31(37)34(23)36-30)19-29-27(28)15-13-22-9-7-17-35-33(22)29/h5-21,37H,1-4H3
InChIKeyPDGYBVNVBJZGEG-UHFFFAOYSA-N
XLogP9.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methyl-5-(1,10-phenanthrolin-2-yl)phenyl]-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 144635240
6-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]-9,10-dihydrophenanthren-4-ol
CID 170685823
methanol;quinolin-8-ol
CID 161490698
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144
2-[1-[2,6-di(propan-2-yl)phenyl]-4-quinolin-8-ylimidazol-2-yl]phenanthridin-10-ol
CID 170685780
zinc quinolin-8-ol
CID 22057723
CID 6381061
CID 6381061
CID 87330016
CID 87330016
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-phenylquinoline;quinolin-8-ol
CID 159295421
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol?
The IUPAC name of 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol (CID 164772240) is 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol.
What is the SMILES notation for 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol?
The canonical SMILES for 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol is CC(C)c1cccc(C(C)C)c1-c1cc(-c2ccc3cccc(O)c3n2)cc2c1ccc1cccnc12.
What is the InChIKey of 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol?
The InChIKey is PDGYBVNVBJZGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O/c1-20(2)25-10-6-11-26(21(3)4)32(25)28-18-24(30-16-14-23-8-5-12-31(37)34(23)36-30)19-29-27(28)15-13-22-9-7-17-35-33(22)29/h5-21,37H,1-4H3.
What are the key properties of 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol?
2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol has a molecular weight of 482.63 g/mol, XLogP of 9.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-9-yl]quinolin-8-ol is sourced from PubChem (CID 164772240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).