4-benzylacridine;1-(2-phenylpropan-2-yl)acridine

C42H34N2 — CID 175451536

IUPAC4-benzylacridine;1-(2-phenylpropan-2-yl)acridine
SMILESCC(C)(c1ccccc1)c1cccc2nc3ccccc3cc12.c1ccc(Cc2cccc3cc4ccccc4nc23)cc1
InChIInChI=1S/C22H19N.C20H15N/c1-22(2,17-10-4-3-5-11-17)19-12-8-14-21-18(19)15-16-9-6-7-13-20(16)23-21;1-2-7-15(8-3-1)13-17-10-6-11-18-14-16-9-4-5-12-19(16)21-20(17)18/h3-15H,1-2H3;1-12,14H,13H2
InChIKeyDGFSXBUHCVMQEU-UHFFFAOYSA-N
MW566.75 g/mol
LogP10.69
Rot. Bonds4

About 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine

4-benzylacridine;1-(2-phenylpropan-2-yl)acridine (PubChem CID 175451536) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine.

Molecular Properties

Compound Name4-benzylacridine;1-(2-phenylpropan-2-yl)acridine
PubChem CID175451536
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC Name4-benzylacridine;1-(2-phenylpropan-2-yl)acridine
SMILESCC(C)(c1ccccc1)c1cccc2nc3ccccc3cc12.c1ccc(Cc2cccc3cc4ccccc4nc23)cc1
InChIInChI=1S/C22H19N.C20H15N/c1-22(2,17-10-4-3-5-11-17)19-12-8-14-21-18(19)15-16-9-6-7-13-20(16)23-21;1-2-7-15(8-3-1)13-17-10-6-11-18-14-16-9-4-5-12-19(16)21-20(17)18/h3-15H,1-2H3;1-12,14H,13H2
InChIKeyDGFSXBUHCVMQEU-UHFFFAOYSA-N
XLogP10.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylpropan-2-yl)acridine
CID 175451537
2,4-dibenzylacridine
CID 175268158
4-propylacridine
CID 609894
2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene
CID 173430654
3-benzylquinoline-2-thiolate
CID 7383405
1-octadecylacridine
CID 87175858
1-methylacridine;hydrochloride
CID 175333750
3-benzyl-2-chloroquinoline
CID 14001237
1-hexadecylacridine;hydrochloride
CID 172754650
2-(2-phenylpropan-2-yl)quinoline
CID 151236236
tert-butyl N-(acridin-4-ylmethyl)carbamate
CID 154037573
4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol
CID 142758885

Frequently Asked Questions

What is the IUPAC name of 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine?
The IUPAC name of 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine (CID 175451536) is 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine.
What is the SMILES notation for 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine?
The canonical SMILES for 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine is CC(C)(c1ccccc1)c1cccc2nc3ccccc3cc12.c1ccc(Cc2cccc3cc4ccccc4nc23)cc1.
What is the InChIKey of 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine?
The InChIKey is DGFSXBUHCVMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N.C20H15N/c1-22(2,17-10-4-3-5-11-17)19-12-8-14-21-18(19)15-16-9-6-7-13-20(16)23-21;1-2-7-15(8-3-1)13-17-10-6-11-18-14-16-9-4-5-12-19(16)21-20(17)18/h3-15H,1-2H3;1-12,14H,13H2.
What are the key properties of 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine?
4-benzylacridine;1-(2-phenylpropan-2-yl)acridine has a molecular weight of 566.75 g/mol, XLogP of 10.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylacridine;1-(2-phenylpropan-2-yl)acridine is sourced from PubChem (CID 175451536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).