8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

C25H24N2O — CID 3124948

IUPAC8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESCC(C)c1ccc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C25H24N2O/c1-15(2)16-8-10-17(11-9-16)25-24-19(5-3-7-22(24)28)23-18-6-4-14-26-20(18)12-13-21(23)27-25/h4,6,8-15,25,27H,3,5,7H2,1-2H3
InChIKeyXOUXEPKPLPTARP-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.03
Rot. Bonds2

About 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (PubChem CID 3124948) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
PubChem CID3124948
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESCC(C)c1ccc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C25H24N2O/c1-15(2)16-8-10-17(11-9-16)25-24-19(5-3-7-22(24)28)23-18-6-4-14-26-20(18)12-13-21(23)27-25/h4,6,8-15,25,27H,3,5,7H2,1-2H3
InChIKeyXOUXEPKPLPTARP-UHFFFAOYSA-N
XLogP6.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (CID 3124948) is 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is CC(C)c1ccc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1.
What is the InChIKey of 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The InChIKey is XOUXEPKPLPTARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-15(2)16-8-10-17(11-9-16)25-24-19(5-3-7-22(24)28)23-18-6-4-14-26-20(18)12-13-21(23)27-25/h4,6,8-15,25,27H,3,5,7H2,1-2H3.
What are the key properties of 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one has a molecular weight of 368.48 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 3124948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).