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

C44H38Br2N2O4 — CID 139241887

IUPAC10-(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
SMILESO=C1CCCC2=C1C(c1ccc(C3C4=C(CCCC4=O)N(c4ccc(Br)cc4)C4=C3C(=O)CCC4)cc1)C1=C(CCCC1=O)N2c1ccc(Br)cc1
InChIInChI=1S/C44H38Br2N2O4/c45-27-17-21-29(22-18-27)47-31-5-1-9-35(49)41(31)39(42-32(47)6-2-10-36(42)50)25-13-15-26(16-14-25)40-43-33(7-3-11-37(43)51)48(30-23-19-28(46)20-24-30)34-8-4-12-38(52)44(34)40/h13-24,39-40H,1-12H2
InChIKeyAZQMWSVLTZVSLG-UHFFFAOYSA-N
MW818.61 g/mol
LogP10.45
Rot. Bonds4

About 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

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 (PubChem CID 139241887) has the molecular formula C44H38Br2N2O4 and a molecular weight of 818.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID139241887
Molecular FormulaC44H38Br2N2O4
Molecular Weight818.61 g/mol
Exact Mass816.12
IUPAC Name10-(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
SMILESO=C1CCCC2=C1C(c1ccc(C3C4=C(CCCC4=O)N(c4ccc(Br)cc4)C4=C3C(=O)CCC4)cc1)C1=C(CCCC1=O)N2c1ccc(Br)cc1
InChIInChI=1S/C44H38Br2N2O4/c45-27-17-21-29(22-18-27)47-31-5-1-9-35(49)41(31)39(42-32(47)6-2-10-36(42)50)25-13-15-26(16-14-25)40-43-33(7-3-11-37(43)51)48(30-23-19-28(46)20-24-30)34-8-4-12-38(52)44(34)40/h13-24,39-40H,1-12H2
InChIKeyAZQMWSVLTZVSLG-UHFFFAOYSA-N
XLogP10.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.61
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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
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
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
2-[[2-(4-Bromophenylamino)-4,4-dimethyl-6-oxocyclohex-1-enyl]methyl]-3-(4-bromophenylamino)-5,5-dimethylcyclohex-2-enone
CID 129842669
2-Benzyl-4-(4-bromophenyl)-6,6-dimethyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro-1h-pyrrolo[3,4-b]quinoline-1,3,8(2h,4h)-trione
CID 132277926
2-Benzyl-4-(4-bromophenyl)-6,6-dimethyl-9-phenyl-5,6,7,9-tetrahydro-1h-pyrrolo[3,4-b]quinoline-1,3,8(2h,4h)-trione
CID 132279643
(3S)-5-acetyl-1-(4-bromophenyl)-3,6-dimethyl-3-(4-methylphenyl)-4H-pyridin-2-one;(3R)-5-acetyl-1-(4-bromophenyl)-3,6-dimethyl-3-(4-methylphenyl)-4H-pyridin-2-one
CID 139123960
(9R)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione;(9S)-4-(4-bromophenyl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydropyrrolo[3,4-b]quinoline-1,3,8-trione
CID 139201915
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CCCC2=C1C(c1ccc(C3C4=C(CCCC4=O)N(c4ccc(Br)cc4)C4=C3C(=O)CCC4)cc1)C1=C(CCCC1=O)N2c1ccc(Br)cc1.
What is the InChIKey of 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?
The InChIKey is AZQMWSVLTZVSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38Br2N2O4/c45-27-17-21-29(22-18-27)47-31-5-1-9-35(49)41(31)39(42-32(47)6-2-10-36(42)50)25-13-15-26(16-14-25)40-43-33(7-3-11-37(43)51)48(30-23-19-28(46)20-24-30)34-8-4-12-38(52)44(34)40/h13-24,39-40H,1-12H2.
What are the key properties of 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?
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 has a molecular weight of 818.61 g/mol, XLogP of 10.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139241887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).