1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine

C33H30N2O2 — CID 154630858

IUPAC1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine
SMILESCOc1cccc2c1C(c1cccc3ccccc13)c1c(OC)cc(N(C)C)cc1N2c1ccccc1
InChIInChI=1S/C33H30N2O2/c1-34(2)24-20-28-33(30(21-24)37-4)31(26-17-10-13-22-12-8-9-16-25(22)26)32-27(18-11-19-29(32)36-3)35(28)23-14-6-5-7-15-23/h5-21,31H,1-4H3
InChIKeyBGNBBGASPCGDOX-UHFFFAOYSA-N
MW486.62 g/mol
LogP7.89
Rot. Bonds5

About 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine

1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine (PubChem CID 154630858) has the molecular formula C33H30N2O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine.

Molecular Properties

Compound Name1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine
PubChem CID154630858
Molecular FormulaC33H30N2O2
Molecular Weight486.62 g/mol
Exact Mass486.23
IUPAC Name1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine
SMILESCOc1cccc2c1C(c1cccc3ccccc13)c1c(OC)cc(N(C)C)cc1N2c1ccccc1
InChIInChI=1S/C33H30N2O2/c1-34(2)24-20-28-33(30(21-24)37-4)31(26-17-10-13-22-12-8-9-16-25(22)26)32-27(18-11-19-29(32)36-3)35(28)23-14-6-5-7-15-23/h5-21,31H,1-4H3
InChIKeyBGNBBGASPCGDOX-UHFFFAOYSA-N
XLogP7.89
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine 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 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine?
The IUPAC name of 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine (CID 154630858) is 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine.
What is the SMILES notation for 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine?
The canonical SMILES for 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine is COc1cccc2c1C(c1cccc3ccccc13)c1c(OC)cc(N(C)C)cc1N2c1ccccc1.
What is the InChIKey of 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine?
The InChIKey is BGNBBGASPCGDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O2/c1-34(2)24-20-28-33(30(21-24)37-4)31(26-17-10-13-22-12-8-9-16-25(22)26)32-27(18-11-19-29(32)36-3)35(28)23-14-6-5-7-15-23/h5-21,31H,1-4H3.
What are the key properties of 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine?
1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine has a molecular weight of 486.62 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxy-N,N-dimethyl-9-naphthalen-1-yl-10-phenyl-9H-acridin-3-amine is sourced from PubChem (CID 154630858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).