magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide

C97H80BrCl4F9MgN6O5 — CID 162233909

IUPACmagnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide
SMILESC.C1CCOC1.ClCCl.ClCCl.N#Cc1ccc2c(ccn2-c2ccccc2)c1.O=C(c1ccc2c(ccn2-c2ccccc2)c1)C(F)(F)F.O=Cc1ccc2c(ccn2-c2ccccc2)c1.OC(c1ccc2c(ccn2-c2ccccc2)c1)C(F)(F)F.OC(c1ccccc1)(c1ccc2c(ccn2-c2ccccc2)c1)C(F)(F)F.[Br-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C22H16F3NO.C16H12F3NO.C16H10F3NO.C15H10N2.C15H11NO.C6H5.C4H8O.2CH2Cl2.CH4.BrH.Mg/c23-22(24,25)21(27,17-7-3-1-4-8-17)18-11-12-20-16(15-18)13-14-26(20)19-9-5-2-6-10-19;2*17-16(18,19)15(21)12-6-7-14-11(10-12)8-9-20(14)13-4-2-1-3-5-13;16-11-12-6-7-15-13(10-12)8-9-17(15)14-4-2-1-3-5-14;17-11-12-6-7-15-13(10-12)8-9-16(15)14-4-2-1-3-5-14;1-2-4-6-5-3-1;1-2-4-5-3-1;2*2-1-3;;;/h1-15,27H;1-10,15,21H;1-10H;1-10H;1-11H;1-5H;1-4H2;2*1H2;1H4;1H;/q;;;;;-1;;;;;;+2/p-1
InChIKeyGMMBFDCPQCIBIU-UHFFFAOYSA-M
MW1826.75 g/mol
LogP23.36
Rot. Bonds10

About magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide

magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide (PubChem CID 162233909) has the molecular formula C97H80BrCl4F9MgN6O5 and a molecular weight of 1826.75 g/mol. Its IUPAC name is magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide.

Molecular Properties

Compound Namemagnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide
PubChem CID162233909
Molecular FormulaC97H80BrCl4F9MgN6O5
Molecular Weight1826.75 g/mol
Exact Mass1822.38
IUPAC Namemagnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide
SMILESC.C1CCOC1.ClCCl.ClCCl.N#Cc1ccc2c(ccn2-c2ccccc2)c1.O=C(c1ccc2c(ccn2-c2ccccc2)c1)C(F)(F)F.O=Cc1ccc2c(ccn2-c2ccccc2)c1.OC(c1ccc2c(ccn2-c2ccccc2)c1)C(F)(F)F.OC(c1ccccc1)(c1ccc2c(ccn2-c2ccccc2)c1)C(F)(F)F.[Br-].[Mg+2].[c-]1ccccc1
InChIInChI=1S/C22H16F3NO.C16H12F3NO.C16H10F3NO.C15H10N2.C15H11NO.C6H5.C4H8O.2CH2Cl2.CH4.BrH.Mg/c23-22(24,25)21(27,17-7-3-1-4-8-17)18-11-12-20-16(15-18)13-14-26(20)19-9-5-2-6-10-19;2*17-16(18,19)15(21)12-6-7-14-11(10-12)8-9-20(14)13-4-2-1-3-5-13;16-11-12-6-7-15-13(10-12)8-9-17(15)14-4-2-1-3-5-14;17-11-12-6-7-15-13(10-12)8-9-16(15)14-4-2-1-3-5-14;1-2-4-6-5-3-1;1-2-4-5-3-1;2*2-1-3;;;/h1-15,27H;1-10,15,21H;1-10H;1-10H;1-11H;1-5H;1-4H2;2*1H2;1H4;1H;/q;;;;;-1;;;;;;+2/p-1
InChIKeyGMMBFDCPQCIBIU-UHFFFAOYSA-M
XLogP23.36
TPSA132.27 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.75
LogP ≤ 523.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide?
The IUPAC name of magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide (CID 162233909) is magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide.
What is the SMILES notation for magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide?
The canonical SMILES for magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide is C.C1CCOC1.ClCCl.ClCCl.N#Cc1ccc2c(ccn2-c2ccccc2)c1.O=C(c1ccc2c(ccn2-c2ccccc2)c1)C(F)(F)F.O=Cc1ccc2c(ccn2-c2ccccc2)c1.OC(c1ccc2c(ccn2-c2ccccc2)c1)C(F)(F)F.OC(c1ccccc1)(c1ccc2c(ccn2-c2ccccc2)c1)C(F)(F)F.[Br-].[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide?
The InChIKey is GMMBFDCPQCIBIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H16F3NO.C16H12F3NO.C16H10F3NO.C15H10N2.C15H11NO.C6H5.C4H8O.2CH2Cl2.CH4.BrH.Mg/c23-22(24,25)21(27,17-7-3-1-4-8-17)18-11-12-20-16(15-18)13-14-26(20)19-9-5-2-6-10-19;2*17-16(18,19)15(21)12-6-7-14-11(10-12)8-9-20(14)13-4-2-1-3-5-13;16-11-12-6-7-15-13(10-12)8-9-17(15)14-4-2-1-3-5-14;17-11-12-6-7-15-13(10-12)8-9-16(15)14-4-2-1-3-5-14;1-2-4-6-5-3-1;1-2-4-5-3-1;2*2-1-3;;;/h1-15,27H;1-10,15,21H;1-10H;1-10H;1-11H;1-5H;1-4H2;2*1H2;1H4;1H;/q;;;;;-1;;;;;;+2/p-1.
What are the key properties of magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide?
magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide has a molecular weight of 1826.75 g/mol, XLogP of 23.36, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;bis(dichloromethane);methane;oxolane;1-phenylindole-5-carbaldehyde;1-phenylindole-5-carbonitrile;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanol;2,2,2-trifluoro-1-(1-phenylindol-5-yl)ethanone;2,2,2-trifluoro-1-phenyl-1-(1-phenylindol-5-yl)ethanol;bromide is sourced from PubChem (CID 162233909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).