10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C29H24BrNO2 — CID 139241886

IUPAC10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1cccc3ccccc13)C1=C(CCCC1=O)N2c1ccc(Br)cc1
InChIInChI=1S/C29H24BrNO2/c30-19-14-16-20(17-15-19)31-23-10-4-12-25(32)28(23)27(29-24(31)11-5-13-26(29)33)22-9-3-7-18-6-1-2-8-21(18)22/h1-3,6-9,14-17,27H,4-5,10-13H2
InChIKeyZGMWNLXLQDVHSJ-UHFFFAOYSA-N
MW498.42 g/mol
LogP7.22
Rot. Bonds2

About 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 139241886) has the molecular formula C29H24BrNO2 and a molecular weight of 498.42 g/mol. Its IUPAC name is 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID139241886
Molecular FormulaC29H24BrNO2
Molecular Weight498.42 g/mol
Exact Mass497.10
IUPAC Name10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1cccc3ccccc13)C1=C(CCCC1=O)N2c1ccc(Br)cc1
InChIInChI=1S/C29H24BrNO2/c30-19-14-16-20(17-15-19)31-23-10-4-12-25(32)28(23)27(29-24(31)11-5-13-26(29)33)22-9-3-7-18-6-1-2-8-21(18)22/h1-3,6-9,14-17,27H,4-5,10-13H2
InChIKeyZGMWNLXLQDVHSJ-UHFFFAOYSA-N
XLogP7.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.42
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromobenzyl)-3-(naphthalene-1-carbonyl)-1,4-dihydroquinolin-4-one
CID 23634661
10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-2-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 71568594
9,9'-(1,4-Phenylene)bis(10-(4-bromophenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydroacridine-1,8(2h,5h,9h,10h)-dione)
CID 76312152
9-(4-Bromophenyl)-10-(3-fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
CID 22333817
9-methyl-10-(1-naphthyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 9549089
2-(4-bromophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 1379582
3-[(4-Bromophenyl)amino]-5-phenyl-2-cyclohexen-1-one
CID 2866613
3,3,6,6-Tetramethyl-9-(4-bromophenyl)-10-phenyl-3,4,6,7-tetrahydroacridine-1,8(2h,5h,9h,10h)-dione
CID 101497921
10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-(4-phenylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 139241883
10-(4-bromophenyl)-3,3,6,6-tetramethyl-9-naphthalen-1-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 139241884
10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 139241885
10-(4-bromophenyl)-9-[4-[10-(4-bromophenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl]phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 139241887

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 139241886) is 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is O=C1CCCC2=C1C(c1cccc3ccccc13)C1=C(CCCC1=O)N2c1ccc(Br)cc1.
What is the InChIKey of 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is ZGMWNLXLQDVHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24BrNO2/c30-19-14-16-20(17-15-19)31-23-10-4-12-25(32)28(23)27(29-24(31)11-5-13-26(29)33)22-9-3-7-18-6-1-2-8-21(18)22/h1-3,6-9,14-17,27H,4-5,10-13H2.
What are the key properties of 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 498.42 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)-9-naphthalen-1-yl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 139241886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).