magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride

C95H139Br2ClMgN6O — CID 159634146

IUPACmagnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride
SMILESC.C#CCCCC.CBr.CBr.CC#CCCCC.CC#CCCCC.CCC1CCCCC1.CCCCCCC.CCO.[CH2-]C1CCCCC1.[Cl-].[H][H].[Mg+2].c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/6C8H7N.C8H16.C7H13.C7H16.2C7H12.C6H10.C2H6O.2CH3Br.CH4.ClH.Mg.H2/c6*1-2-4-8-7(3-1)5-6-9-8;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;3*1-3-5-7-6-4-2;1-3-5-6-4-2;1-2-3;2*1-2;;;;/h6*1-6,9H;8H,2-7H2,1H3;7H,1-6H2;3-7H2,1-2H3;2*3,5,7H2,1-2H3;1H,4-6H2,2H3;3H,2H2,1H3;2*1H3;1H4;1H;;1H/q;;;;;;;-1;;;;;;;;;;+2;/p-1
InChIKeyKKQKCRRZSAHKSE-UHFFFAOYSA-M
MW1600.76 g/mol
LogP27.10
Rot. Bonds11

About magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride

magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride (PubChem CID 159634146) has the molecular formula C95H139Br2ClMgN6O and a molecular weight of 1600.76 g/mol. Its IUPAC name is magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride.

Molecular Properties

Compound Namemagnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride
PubChem CID159634146
Molecular FormulaC95H139Br2ClMgN6O
Molecular Weight1600.76 g/mol
Exact Mass1596.89
IUPAC Namemagnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride
SMILESC.C#CCCCC.CBr.CBr.CC#CCCCC.CC#CCCCC.CCC1CCCCC1.CCCCCCC.CCO.[CH2-]C1CCCCC1.[Cl-].[H][H].[Mg+2].c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/6C8H7N.C8H16.C7H13.C7H16.2C7H12.C6H10.C2H6O.2CH3Br.CH4.ClH.Mg.H2/c6*1-2-4-8-7(3-1)5-6-9-8;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;3*1-3-5-7-6-4-2;1-3-5-6-4-2;1-2-3;2*1-2;;;;/h6*1-6,9H;8H,2-7H2,1H3;7H,1-6H2;3-7H2,1-2H3;2*3,5,7H2,1-2H3;1H,4-6H2,2H3;3H,2H2,1H3;2*1H3;1H4;1H;;1H/q;;;;;;;-1;;;;;;;;;;+2;/p-1
InChIKeyKKQKCRRZSAHKSE-UHFFFAOYSA-M
XLogP27.10
TPSA114.97 Ų
H-Bond Donors7
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001600.76
LogP ≤ 527.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326685
3-[1,5,5-tris(1H-indol-3-yl)pentyl]-1H-indole
CID 139234852
Di(diindolylmethyl)pyrrole
CID 129712636
3-[1,3,3-tris(1H-indol-3-yl)propyl]-1H-indole
CID 139234850
3-[1,6,6-tris(1H-indol-3-yl)hexyl]-1H-indole
CID 139234853
3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
CID 135490504
tris(1H-indole);tetrakis(3-methyl-1H-indole)
CID 67851832
2,3-bis(1H-indol-3-ylmethyl)-1H-indole;tris(1H-indole)
CID 68825863
1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 90781595
4,4-bis(1H-indol-3-yl)butan-1-ol;1-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole;4-(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 91375830
3-[1,1-bis(1H-indol-3-yl)ethyl]-1H-indole;3-[bis(1H-indol-3-yl)methyl]-1H-indole
CID 121434215

Frequently Asked Questions

What is the IUPAC name of magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride?
The IUPAC name of magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride (CID 159634146) is magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride.
What is the SMILES notation for magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride?
The canonical SMILES for magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride is C.C#CCCCC.CBr.CBr.CC#CCCCC.CC#CCCCC.CCC1CCCCC1.CCCCCCC.CCO.[CH2-]C1CCCCC1.[Cl-].[H][H].[Mg+2].c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride?
The InChIKey is KKQKCRRZSAHKSE-UHFFFAOYSA-M. The full InChI is InChI=1S/6C8H7N.C8H16.C7H13.C7H16.2C7H12.C6H10.C2H6O.2CH3Br.CH4.ClH.Mg.H2/c6*1-2-4-8-7(3-1)5-6-9-8;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;3*1-3-5-7-6-4-2;1-3-5-6-4-2;1-2-3;2*1-2;;;;/h6*1-6,9H;8H,2-7H2,1H3;7H,1-6H2;3-7H2,1-2H3;2*3,5,7H2,1-2H3;1H,4-6H2,2H3;3H,2H2,1H3;2*1H3;1H4;1H;;1H/q;;;;;;;-1;;;;;;;;;;+2;/p-1.
What are the key properties of magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride?
magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride has a molecular weight of 1600.76 g/mol, XLogP of 27.10, 11 rotatable bonds, 7 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bromomethane;ethanol;ethylcyclohexane;heptane;bis(hept-2-yne);hex-1-yne;hexakis(1H-indole);methane;methanidylcyclohexane;molecular hydrogen;chloride is sourced from PubChem (CID 159634146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).