9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine

C23H23N — CID 123972048

IUPAC9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine
SMILESCc1ccccc1CN1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C23H23N/c1-17-10-4-5-11-18(17)16-24-21-14-8-6-12-19(21)23(2,3)20-13-7-9-15-22(20)24/h4-15H,16H2,1-3H3
InChIKeyCTZSYNIRUSELGM-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.97
Rot. Bonds2

About 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine

9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine (PubChem CID 123972048) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine
PubChem CID123972048
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine
SMILESCc1ccccc1CN1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C23H23N/c1-17-10-4-5-11-18(17)16-24-21-14-8-6-12-19(21)23(2,3)20-13-7-9-15-22(20)24/h4-15H,16H2,1-3H3
InChIKeyCTZSYNIRUSELGM-UHFFFAOYSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1331654
3-[2-(4-fluorophenyl)ethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 138623779
(2S)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181022
(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216206
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216208
3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 2927717
(3S)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[(Z)-2-oxo-4-phenylbut-3-enyl]indol-2-one
CID 2364476
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216204
9,9,10-trimethylacridine
CID 610451
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 27522911
N-ethyl-5,5-dimethyl-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015175
3-(4-fluorobenzoyl)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015312

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine?
The IUPAC name of 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine (CID 123972048) is 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine.
What is the SMILES notation for 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine?
The canonical SMILES for 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine is Cc1ccccc1CN1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine?
The InChIKey is CTZSYNIRUSELGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-17-10-4-5-11-18(17)16-24-21-14-8-6-12-19(21)23(2,3)20-13-7-9-15-22(20)24/h4-15H,16H2,1-3H3.
What are the key properties of 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine?
9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine has a molecular weight of 313.44 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[(2-methylphenyl)methyl]acridine is sourced from PubChem (CID 123972048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).