10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine

C41H37N — CID 164974789

IUPAC10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine
SMILESCC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2N(c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C25H21N.C16H16/c1-25(2)21-11-5-7-13-23(21)26(24-14-8-6-12-22(24)25)20-16-15-18-9-3-4-10-19(18)17-20;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-17H,1-2H3;3-10H,11H2,1-2H3
InChIKeyDPWLSZKWVQKCFV-UHFFFAOYSA-N
MW543.75 g/mol
LogP10.87
Rot. Bonds1

About 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine

10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine (PubChem CID 164974789) has the molecular formula C41H37N and a molecular weight of 543.75 g/mol. Its IUPAC name is 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine.

Molecular Properties

Compound Name10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine
PubChem CID164974789
Molecular FormulaC41H37N
Molecular Weight543.75 g/mol
Exact Mass543.29
IUPAC Name10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine
SMILESCC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2N(c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C25H21N.C16H16/c1-25(2)21-11-5-7-13-23(21)26(24-14-8-6-12-22(24)25)20-16-15-18-9-3-4-10-19(18)17-20;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-17H,1-2H3;3-10H,11H2,1-2H3
InChIKeyDPWLSZKWVQKCFV-UHFFFAOYSA-N
XLogP10.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.75
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine 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 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine?
The IUPAC name of 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine (CID 164974789) is 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine.
What is the SMILES notation for 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine?
The canonical SMILES for 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine is CC1(C)c2ccccc2Cc2ccccc21.CC1(C)c2ccccc2N(c2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine?
The InChIKey is DPWLSZKWVQKCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N.C16H16/c1-25(2)21-11-5-7-13-23(21)26(24-14-8-6-12-22(24)25)20-16-15-18-9-3-4-10-19(18)17-20;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16/h3-17H,1-2H3;3-10H,11H2,1-2H3.
What are the key properties of 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine?
10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine has a molecular weight of 543.75 g/mol, XLogP of 10.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-9H-anthracene;9,9-dimethyl-10-naphthalen-2-ylacridine is sourced from PubChem (CID 164974789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).