8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine

C31H32N2O — CID 154630821

IUPAC8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine
SMILESCOc1cccc2c1C(c1c(C)cc(C)cc1C)c1ccc(N(C)C)cc1N2c1ccccc1
InChIInChI=1S/C31H32N2O/c1-20-17-21(2)29(22(3)18-20)30-25-16-15-24(32(4)5)19-27(25)33(23-11-8-7-9-12-23)26-13-10-14-28(34-6)31(26)30/h7-19,30H,1-6H3
InChIKeySRDQUTJPYXEYHZ-UHFFFAOYSA-N
MW448.61 g/mol
LogP7.65
Rot. Bonds4

About 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine

8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine (PubChem CID 154630821) has the molecular formula C31H32N2O and a molecular weight of 448.61 g/mol. Its IUPAC name is 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine.

Molecular Properties

Compound Name8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine
PubChem CID154630821
Molecular FormulaC31H32N2O
Molecular Weight448.61 g/mol
Exact Mass448.25
IUPAC Name8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine
SMILESCOc1cccc2c1C(c1c(C)cc(C)cc1C)c1ccc(N(C)C)cc1N2c1ccccc1
InChIInChI=1S/C31H32N2O/c1-20-17-21(2)29(22(3)18-20)30-25-16-15-24(32(4)5)19-27(25)33(23-11-8-7-9-12-23)26-13-10-14-28(34-6)31(26)30/h7-19,30H,1-6H3
InChIKeySRDQUTJPYXEYHZ-UHFFFAOYSA-N
XLogP7.65
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine?
The IUPAC name of 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine (CID 154630821) is 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine.
What is the SMILES notation for 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine?
The canonical SMILES for 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine is COc1cccc2c1C(c1c(C)cc(C)cc1C)c1ccc(N(C)C)cc1N2c1ccccc1.
What is the InChIKey of 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine?
The InChIKey is SRDQUTJPYXEYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O/c1-20-17-21(2)29(22(3)18-20)30-25-16-15-24(32(4)5)19-27(25)33(23-11-8-7-9-12-23)26-13-10-14-28(34-6)31(26)30/h7-19,30H,1-6H3.
What are the key properties of 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine?
8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine has a molecular weight of 448.61 g/mol, XLogP of 7.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine is sourced from PubChem (CID 154630821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).