tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate

C40H62Cr4N4O5+4 — CID 6397520

IUPACtetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate
SMILESCC(O)O.CC(O)O.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.O.[Cr+2].[Cr+2].[Cr+2].[Cr+2]
InChIInChI=1S/4C9H12N.2C2H6O2.4Cr.H2O/c4*1-10(2)8-9-6-4-3-5-7-9;2*1-2(3)4;;;;;/h4*3-6H,8H2,1-2H3;2*2-4H,1H3;;;;;1H2/q4*-1;;;4*+2;
InChIKeyYEDALEPGQKZJQW-UHFFFAOYSA-N
MW886.94 g/mol
LogP3.99
Rot. Bonds8

About tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate

tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate (PubChem CID 6397520) has the molecular formula C40H62Cr4N4O5+4 and a molecular weight of 886.94 g/mol. Its IUPAC name is tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate.

Molecular Properties

Compound Nametetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate
PubChem CID6397520
Molecular FormulaC40H62Cr4N4O5+4
Molecular Weight886.94 g/mol
Exact Mass886.23
IUPAC Nametetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate
SMILESCC(O)O.CC(O)O.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.O.[Cr+2].[Cr+2].[Cr+2].[Cr+2]
InChIInChI=1S/4C9H12N.2C2H6O2.4Cr.H2O/c4*1-10(2)8-9-6-4-3-5-7-9;2*1-2(3)4;;;;;/h4*3-6H,8H2,1-2H3;2*2-4H,1H3;;;;;1H2/q4*-1;;;4*+2;
InChIKeyYEDALEPGQKZJQW-UHFFFAOYSA-N
XLogP3.99
TPSA125.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500886.94
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzene;carbanide;N,N-dimethyl-1-phenylmethanamine;tin(4+);bromide
CID 54725612
acetic acid;carbanide;N,N-dimethyl-1-phenylmethanamine;palladium
CID 59987071
lithium N,N,N'-trimethyl-N'-(phenylmethyl)ethane-1,2-diamine
CID 15822463
chloropalladium(1+);N,N-dimethyl-1-phenylmethanamine;N-diphenylphosphanyl-2,6-di(propan-2-yl)aniline
CID 139241603
bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine
CID 146001766
phenylmethylbenzene;tungsten(2+)
CID 23570247
bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine
CID 146001765
chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54725089
bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54713754
bis(1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine);palladium;palladium(2+);hydrochloride
CID 5257018
CID 161008238
CID 161008238
carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))
CID 160831224

Frequently Asked Questions

What is the IUPAC name of tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate?
The IUPAC name of tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate (CID 6397520) is tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate.
What is the SMILES notation for tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate?
The canonical SMILES for tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate is CC(O)O.CC(O)O.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.O.[Cr+2].[Cr+2].[Cr+2].[Cr+2].
What is the InChIKey of tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate?
The InChIKey is YEDALEPGQKZJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H12N.2C2H6O2.4Cr.H2O/c4*1-10(2)8-9-6-4-3-5-7-9;2*1-2(3)4;;;;;/h4*3-6H,8H2,1-2H3;2*2-4H,1H3;;;;;1H2/q4*-1;;;4*+2;.
What are the key properties of tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate?
tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate has a molecular weight of 886.94 g/mol, XLogP of 3.99, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(chromium(2+));tetrakis(N,N-dimethyl-1-phenylmethanamine);bis(ethane-1,1-diol);hydrate is sourced from PubChem (CID 6397520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).