acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde

C63H50Br5Cl3N2O6 — CID 162066609

IUPACacetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde
SMILESCC(=O)O.CC(=O)c1cccc(Br)c1.Clc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)c2)c1.N.O=C(CC(CC(=O)c1cccc(Br)c1)c1cccc(Cl)c1)c1cccc(Br)c1.O=Cc1cccc(Cl)c1
InChIInChI=1S/C23H14Br2ClN.C23H17Br2ClO2.C8H7BrO.C7H5ClO.C2H4O2.H3N/c24-19-7-1-5-16(10-19)22-13-18(15-4-3-9-21(26)12-15)14-23(27-22)17-6-2-8-20(25)11-17;24-19-7-1-5-16(10-19)22(27)13-18(15-4-3-9-21(26)12-15)14-23(28)17-6-2-8-20(25)11-17;1-6(10)7-3-2-4-8(9)5-7;8-7-3-1-2-6(4-7)5-9;1-2(3)4;/h1-14H;1-12,18H,13-14H2;2-5H,1H3;1-5H;1H3,(H,3,4);1H3
InChIKeyXKGZJIYKBPMVED-UHFFFAOYSA-N
MW1436.98 g/mol
LogP20.81
Rot. Bonds12

About acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde

acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde (PubChem CID 162066609) has the molecular formula C63H50Br5Cl3N2O6 and a molecular weight of 1436.98 g/mol. Its IUPAC name is acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde.

Molecular Properties

Compound Nameacetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde
PubChem CID162066609
Molecular FormulaC63H50Br5Cl3N2O6
Molecular Weight1436.98 g/mol
Exact Mass1429.87
IUPAC Nameacetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde
SMILESCC(=O)O.CC(=O)c1cccc(Br)c1.Clc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)c2)c1.N.O=C(CC(CC(=O)c1cccc(Br)c1)c1cccc(Cl)c1)c1cccc(Br)c1.O=Cc1cccc(Cl)c1
InChIInChI=1S/C23H14Br2ClN.C23H17Br2ClO2.C8H7BrO.C7H5ClO.C2H4O2.H3N/c24-19-7-1-5-16(10-19)22-13-18(15-4-3-9-21(26)12-15)14-23(27-22)17-6-2-8-20(25)11-17;24-19-7-1-5-16(10-19)22(27)13-18(15-4-3-9-21(26)12-15)14-23(28)17-6-2-8-20(25)11-17;1-6(10)7-3-2-4-8(9)5-7;8-7-3-1-2-6(4-7)5-9;1-2(3)4;/h1-14H;1-12,18H,13-14H2;2-5H,1H3;1-5H;1H3,(H,3,4);1H3
InChIKeyXKGZJIYKBPMVED-UHFFFAOYSA-N
XLogP20.81
TPSA153.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001436.98
LogP ≤ 520.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde?
The IUPAC name of acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde (CID 162066609) is acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde.
What is the SMILES notation for acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde?
The canonical SMILES for acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde is CC(=O)O.CC(=O)c1cccc(Br)c1.Clc1cccc(-c2cc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)c2)c1.N.O=C(CC(CC(=O)c1cccc(Br)c1)c1cccc(Cl)c1)c1cccc(Br)c1.O=Cc1cccc(Cl)c1.
What is the InChIKey of acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde?
The InChIKey is XKGZJIYKBPMVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br2ClN.C23H17Br2ClO2.C8H7BrO.C7H5ClO.C2H4O2.H3N/c24-19-7-1-5-16(10-19)22-13-18(15-4-3-9-21(26)12-15)14-23(27-22)17-6-2-8-20(25)11-17;24-19-7-1-5-16(10-19)22(27)13-18(15-4-3-9-21(26)12-15)14-23(28)17-6-2-8-20(25)11-17;1-6(10)7-3-2-4-8(9)5-7;8-7-3-1-2-6(4-7)5-9;1-2(3)4;/h1-14H;1-12,18H,13-14H2;2-5H,1H3;1-5H;1H3,(H,3,4);1H3.
What are the key properties of acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde?
acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde has a molecular weight of 1436.98 g/mol, XLogP of 20.81, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;1,5-bis(3-bromophenyl)-3-(3-chlorophenyl)pentane-1,5-dione;2,6-bis(3-bromophenyl)-4-(3-chlorophenyl)pyridine;1-(3-bromophenyl)ethanone;3-chlorobenzaldehyde is sourced from PubChem (CID 162066609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).