(8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

C28H20Cl2N2O — CID 26517398

IUPAC(8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccc3ncccc3c12
InChIInChI=1S/C28H20Cl2N2O/c29-21-10-4-8-19(27(21)30)28-26-20(14-17(15-24(26)33)16-6-2-1-3-7-16)25-18-9-5-13-31-22(18)11-12-23(25)32-28/h1-13,17,28,32H,14-15H2/t17-,28+/m1/s1
InChIKeyPHSZLRAMRLIBSO-UULLZXFKSA-N
MW471.39 g/mol
LogP7.61
Rot. Bonds2

About (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

(8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (PubChem CID 26517398) has the molecular formula C28H20Cl2N2O and a molecular weight of 471.39 g/mol. Its IUPAC name is (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name(8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
PubChem CID26517398
Molecular FormulaC28H20Cl2N2O
Molecular Weight471.39 g/mol
Exact Mass470.10
IUPAC Name(8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccc3ncccc3c12
InChIInChI=1S/C28H20Cl2N2O/c29-21-10-4-8-19(27(21)30)28-26-20(14-17(15-24(26)33)16-6-2-1-3-7-16)25-18-9-5-13-31-22(18)11-12-23(25)32-28/h1-13,17,28,32H,14-15H2/t17-,28+/m1/s1
InChIKeyPHSZLRAMRLIBSO-UULLZXFKSA-N
XLogP7.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one with MolForge

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Related Compounds

(8R,11R)-8-(5-bromo-2-methoxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 41222093
11-phenyl-8-(4-phenylmethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 5171453
8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 3941458
8-(2-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 619380
8-(2-iodophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 2946722
6-(2,3-dichlorophenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17064456
8-(2-methoxyphenyl)-11,11-dimethyl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
CID 2932083
(9S,12R)-12-(4-hydroxyphenyl)-9-phenyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 7304716
8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 2833824
(8S)-8-(4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 704867
2-(4-butoxyphenyl)-5-(4-chlorophenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 2833891
(8R)-8-(2,4-dimethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 1129925

Frequently Asked Questions

What is the IUPAC name of (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (CID 26517398) is (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccc3ncccc3c12.
What is the InChIKey of (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The InChIKey is PHSZLRAMRLIBSO-UULLZXFKSA-N. The full InChI is InChI=1S/C28H20Cl2N2O/c29-21-10-4-8-19(27(21)30)28-26-20(14-17(15-24(26)33)16-6-2-1-3-7-16)25-18-9-5-13-31-22(18)11-12-23(25)32-28/h1-13,17,28,32H,14-15H2/t17-,28+/m1/s1.
What are the key properties of (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
(8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one has a molecular weight of 471.39 g/mol, XLogP of 7.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,11R)-8-(2,3-dichlorophenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 26517398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).