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

C31H26BrNO2 — CID 139241885

IUPAC10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2c1ccc(Br)cc1
InChIInChI=1S/C31H26BrNO2/c32-23-16-18-24(19-17-23)33-25-8-4-10-27(34)30(25)29(31-26(33)9-5-11-28(31)35)22-14-12-21(13-15-22)20-6-2-1-3-7-20/h1-3,6-7,12-19,29H,4-5,8-11H2
InChIKeyXSETXWCMVZDXFY-UHFFFAOYSA-N
MW524.46 g/mol
LogP7.73
Rot. Bonds3

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

10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 139241885) has the molecular formula C31H26BrNO2 and a molecular weight of 524.46 g/mol. Its IUPAC name is 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID139241885
Molecular FormulaC31H26BrNO2
Molecular Weight524.46 g/mol
Exact Mass523.11
IUPAC Name10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2c1ccc(Br)cc1
InChIInChI=1S/C31H26BrNO2/c32-23-16-18-24(19-17-23)33-25-8-4-10-27(34)30(25)29(31-26(33)9-5-11-28(31)35)22-14-12-21(13-15-22)20-6-2-1-3-7-20/h1-3,6-7,12-19,29H,4-5,8-11H2
InChIKeyXSETXWCMVZDXFY-UHFFFAOYSA-N
XLogP7.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.46
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione with MolForge

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Related Compounds

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
3,3,6,6-tetramethyl-9,10-diphenyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 1886552
10-[1,1'-Biphenyl]-4-yl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 379951
2-Benzyl-4-(4-bromophenyl)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-1h-pyrrolo[3,4-b]quinoline-1,3,8(2h,4h)-trione
CID 132281141
2-Amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxoquinoline-3-carboxamide
CID 146036506
3-[(3-Bromophenyl)amino]-5-phenylcyclohex-2-en-1-one
CID 2859346
10-(4-Fluorophenyl)-9-(4-methylphenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
CID 15998024
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-(3-bromo-4-fluorophenyl)-10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 46503253
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

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 139241885) is 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is O=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)C1=C(CCCC1=O)N2c1ccc(Br)cc1.
What is the InChIKey of 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is XSETXWCMVZDXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26BrNO2/c32-23-16-18-24(19-17-23)33-25-8-4-10-27(34)30(25)29(31-26(33)9-5-11-28(31)35)22-14-12-21(13-15-22)20-6-2-1-3-7-20/h1-3,6-7,12-19,29H,4-5,8-11H2.
What are the key properties of 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 524.46 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)-9-(4-phenylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 139241885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).