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

C30H26N2O3 — CID 3941458

IUPAC8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESCCOc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CC(c2ccccc2)C3)ccc1O
InChIInChI=1S/C30H26N2O3/c1-2-35-27-17-19(10-13-25(27)33)30-29-22(15-20(16-26(29)34)18-7-4-3-5-8-18)28-21-9-6-14-31-23(21)11-12-24(28)32-30/h3-14,17,20,30,32-33H,2,15-16H2,1H3
InChIKeyOLSKYMULWOHUED-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.41
Rot. Bonds4

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

8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (PubChem CID 3941458) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
PubChem CID3941458
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC Name8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESCCOc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CC(c2ccccc2)C3)ccc1O
InChIInChI=1S/C30H26N2O3/c1-2-35-27-17-19(10-13-25(27)33)30-29-22(15-20(16-26(29)34)18-7-4-3-5-8-18)28-21-9-6-14-31-23(21)11-12-24(28)32-30/h3-14,17,20,30,32-33H,2,15-16H2,1H3
InChIKeyOLSKYMULWOHUED-UHFFFAOYSA-N
XLogP6.41
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (CID 3941458) is 8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is CCOc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CC(c2ccccc2)C3)ccc1O.
What is the InChIKey of 8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The InChIKey is OLSKYMULWOHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3/c1-2-35-27-17-19(10-13-25(27)33)30-29-22(15-20(16-26(29)34)18-7-4-3-5-8-18)28-21-9-6-14-31-23(21)11-12-24(28)32-30/h3-14,17,20,30,32-33H,2,15-16H2,1H3.
What are the key properties of 8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one has a molecular weight of 462.55 g/mol, XLogP of 6.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethoxy-4-hydroxyphenyl)-11-phenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 3941458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).