1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide

C29H29BrN2O2 — CID 175029185

IUPAC1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide
SMILESBr.COc1cccc2c1C(c1ccccc1)c1c(ccc(N(C)C)c1OC)N2c1ccccc1
InChIInChI=1S/C29H28N2O2.BrH/c1-30(2)24-19-18-23-28(29(24)33-4)26(20-12-7-5-8-13-20)27-22(16-11-17-25(27)32-3)31(23)21-14-9-6-10-15-21;/h5-19,26H,1-4H3;1H
InChIKeyUPQYREYHLSVDPT-UHFFFAOYSA-N
MW517.47 g/mol
LogP7.31
Rot. Bonds5

About 1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide

1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide (PubChem CID 175029185) has the molecular formula C29H29BrN2O2 and a molecular weight of 517.47 g/mol. Its IUPAC name is 1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide.

Molecular Properties

Compound Name1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide
PubChem CID175029185
Molecular FormulaC29H29BrN2O2
Molecular Weight517.47 g/mol
Exact Mass516.14
IUPAC Name1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide
SMILESBr.COc1cccc2c1C(c1ccccc1)c1c(ccc(N(C)C)c1OC)N2c1ccccc1
InChIInChI=1S/C29H28N2O2.BrH/c1-30(2)24-19-18-23-28(29(24)33-4)26(20-12-7-5-8-13-20)27-22(16-11-17-25(27)32-3)31(23)21-14-9-6-10-15-21;/h5-19,26H,1-4H3;1H
InChIKeyUPQYREYHLSVDPT-UHFFFAOYSA-N
XLogP7.31
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.47
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide?
The IUPAC name of 1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide (CID 175029185) is 1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide.
What is the SMILES notation for 1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide?
The canonical SMILES for 1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide is Br.COc1cccc2c1C(c1ccccc1)c1c(ccc(N(C)C)c1OC)N2c1ccccc1.
What is the InChIKey of 1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide?
The InChIKey is UPQYREYHLSVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2.BrH/c1-30(2)24-19-18-23-28(29(24)33-4)26(20-12-7-5-8-13-20)27-22(16-11-17-25(27)32-3)31(23)21-14-9-6-10-15-21;/h5-19,26H,1-4H3;1H.
What are the key properties of 1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide?
1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide has a molecular weight of 517.47 g/mol, XLogP of 7.31, 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-9,10-diphenyl-9H-acridin-2-amine;hydrobromide is sourced from PubChem (CID 175029185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).