1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone

C27H38N2O — CID 155339044

IUPAC1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone
SMILESCC(=O)c1c(C)c(C)c(C)c2c1N(CC(C)(C)C)c1ccccc1N2CC(C)(C)C
InChIInChI=1S/C27H38N2O/c1-17-18(2)23(20(4)30)25-24(19(17)3)28(15-26(5,6)7)21-13-11-12-14-22(21)29(25)16-27(8,9)10/h11-14H,15-16H2,1-10H3
InChIKeyOYVSPXWHHSRQCB-UHFFFAOYSA-N
MW406.61 g/mol
LogP7.50
Rot. Bonds3

About 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone

1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone (PubChem CID 155339044) has the molecular formula C27H38N2O and a molecular weight of 406.61 g/mol. Its IUPAC name is 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone
PubChem CID155339044
Molecular FormulaC27H38N2O
Molecular Weight406.61 g/mol
Exact Mass406.30
IUPAC Name1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone
SMILESCC(=O)c1c(C)c(C)c(C)c2c1N(CC(C)(C)C)c1ccccc1N2CC(C)(C)C
InChIInChI=1S/C27H38N2O/c1-17-18(2)23(20(4)30)25-24(19(17)3)28(15-26(5,6)7)21-13-11-12-14-22(21)29(25)16-27(8,9)10/h11-14H,15-16H2,1-10H3
InChIKeyOYVSPXWHHSRQCB-UHFFFAOYSA-N
XLogP7.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone?
The IUPAC name of 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone (CID 155339044) is 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone.
What is the SMILES notation for 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone?
The canonical SMILES for 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone is CC(=O)c1c(C)c(C)c(C)c2c1N(CC(C)(C)C)c1ccccc1N2CC(C)(C)C.
What is the InChIKey of 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone?
The InChIKey is OYVSPXWHHSRQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O/c1-17-18(2)23(20(4)30)25-24(19(17)3)28(15-26(5,6)7)21-13-11-12-14-22(21)29(25)16-27(8,9)10/h11-14H,15-16H2,1-10H3.
What are the key properties of 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone?
1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone has a molecular weight of 406.61 g/mol, XLogP of 7.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,10-bis(2,2-dimethylpropyl)-2,3,4-trimethylphenazin-1-yl]ethanone is sourced from PubChem (CID 155339044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).