9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine

C32H26N2 — CID 158876526

IUPAC9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine
SMILESc1ccc(C2c3ccccc3Nc3ccccc32)cc1.c1ccc2c(c1)Cc1ccccc1N2
InChIInChI=1S/C19H15N.C13H11N/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-13,19-20H;1-8,14H,9H2
InChIKeyJCMSBXOCTUZUBI-UHFFFAOYSA-N
MW438.57 g/mol
LogP8.26
Rot. Bonds1

About 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine

9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine (PubChem CID 158876526) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine.

Molecular Properties

Compound Name9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine
PubChem CID158876526
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine
SMILESc1ccc(C2c3ccccc3Nc3ccccc32)cc1.c1ccc2c(c1)Cc1ccccc1N2
InChIInChI=1S/C19H15N.C13H11N/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-13,19-20H;1-8,14H,9H2
InChIKeyJCMSBXOCTUZUBI-UHFFFAOYSA-N
XLogP8.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-dihydroacridine
CID 137366999
5,7,12,14-tetrahydroquinolino[3,2-b]acridine
CID 158918196
17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(14),2,4,6,8,10,12,15,18,20,22,25-dodecaene
CID 145361837
(5R)-6,11-dihydro-5H-benzo[b][1]benzazepin-5-ol
CID 86312420
7-phenyl-7,12-dihydropleiadene
CID 615155
4,9-dihydro-2H-pyrrolo[3,4-b]quinoline
CID 91500858
3,5-diphenyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 90311127
2-fluoro-9,10-dihydroacridine
CID 14460071
6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine
CID 59778295
3-methyl-9,10-dihydroacridine
CID 15076518
9-phenyl-9H-fluorene
CID 13091
3-(4-aminophenyl)-1,3-dihydroindol-2-one
CID 118364316

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine?
The IUPAC name of 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine (CID 158876526) is 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine.
What is the SMILES notation for 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine?
The canonical SMILES for 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine is c1ccc(C2c3ccccc3Nc3ccccc32)cc1.c1ccc2c(c1)Cc1ccccc1N2.
What is the InChIKey of 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine?
The InChIKey is JCMSBXOCTUZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C13H11N/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-13,19-20H;1-8,14H,9H2.
What are the key properties of 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine?
9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine has a molecular weight of 438.57 g/mol, XLogP of 8.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroacridine;9-phenyl-9,10-dihydroacridine is sourced from PubChem (CID 158876526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).