10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine

C106H119N5OS — CID 157193561

IUPAC10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine
SMILESCC(C)C1c2ccccc2N(C)c2ccccc21.CC(C)c1c2c(nc3ccccc13)CCCC2.CC(C)c1c2c(nc3ccccc13)CCN(C)C2.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccccc2nc2ccccc12.CC(C)c1cccc2c1CCCO2.Cc1sc2ccccc2c1C(C)C
InChIInChI=1S/C17H19N.C17H16.C16H20N2.C16H19N.C16H15N.C12H16O.C12H14S/c1-12(2)17-13-8-4-6-10-15(13)18(3)16-11-7-5-9-14(16)17;1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-11(2)16-12-6-4-5-7-14(12)17-15-8-9-18(3)10-13(15)16;2*1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12/h4-12,17H,1-3H3;3-12H,1-2H3;4-7,11H,8-10H2,1-3H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;3-11H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;4-8H,1-3H3
InChIKeyAPZDDZUBZHUDEN-UHFFFAOYSA-N
MW1511.22 g/mol
LogP29.23
Rot. Bonds7

About 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine

10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine (PubChem CID 157193561) has the molecular formula C106H119N5OS and a molecular weight of 1511.22 g/mol. Its IUPAC name is 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine
PubChem CID157193561
Molecular FormulaC106H119N5OS
Molecular Weight1511.22 g/mol
Exact Mass1509.91
IUPAC Name10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine
SMILESCC(C)C1c2ccccc2N(C)c2ccccc21.CC(C)c1c2c(nc3ccccc13)CCCC2.CC(C)c1c2c(nc3ccccc13)CCN(C)C2.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccccc2nc2ccccc12.CC(C)c1cccc2c1CCCO2.Cc1sc2ccccc2c1C(C)C
InChIInChI=1S/C17H19N.C17H16.C16H20N2.C16H19N.C16H15N.C12H16O.C12H14S/c1-12(2)17-13-8-4-6-10-15(13)18(3)16-11-7-5-9-14(16)17;1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-11(2)16-12-6-4-5-7-14(12)17-15-8-9-18(3)10-13(15)16;2*1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12/h4-12,17H,1-3H3;3-12H,1-2H3;4-7,11H,8-10H2,1-3H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;3-11H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;4-8H,1-3H3
InChIKeyAPZDDZUBZHUDEN-UHFFFAOYSA-N
XLogP29.23
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001511.22
LogP ≤ 529.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine?
The IUPAC name of 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine (CID 157193561) is 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine is CC(C)C1c2ccccc2N(C)c2ccccc21.CC(C)c1c2c(nc3ccccc13)CCCC2.CC(C)c1c2c(nc3ccccc13)CCN(C)C2.CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1c2ccccc2nc2ccccc12.CC(C)c1cccc2c1CCCO2.Cc1sc2ccccc2c1C(C)C.
What is the InChIKey of 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine?
The InChIKey is APZDDZUBZHUDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N.C17H16.C16H20N2.C16H19N.C16H15N.C12H16O.C12H14S/c1-12(2)17-13-8-4-6-10-15(13)18(3)16-11-7-5-9-14(16)17;1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-11(2)16-12-6-4-5-7-14(12)17-15-8-9-18(3)10-13(15)16;2*1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12/h4-12,17H,1-3H3;3-12H,1-2H3;4-7,11H,8-10H2,1-3H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;3-11H,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;4-8H,1-3H3.
What are the key properties of 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine?
10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine has a molecular weight of 1511.22 g/mol, XLogP of 29.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-propan-2-yl-9H-acridine;2-methyl-3-propan-2-yl-1-benzothiophene;2-methyl-10-propan-2-yl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine;9-propan-2-ylacridine;9-propan-2-ylanthracene;5-propan-2-yl-3,4-dihydro-2H-chromene;9-propan-2-yl-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 157193561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).