bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium

C46H77N3Y-2 — CID 159341429

IUPACbis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium
SMILESCC.CC.CC.CC.CCN(C)C.CCN(C)C.CCN(C)CC.[Y].[c-]1ccccc1-c1[c-]cccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C12H8.C5H13N.2C4H11N.4C2H6.Y/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-6(3)5-2;2*1-4-5(2)3;4*1-2;/h1-8H,9H2;1-7,9H;4-5H2,1-3H3;2*4H2,1-3H3;4*1-2H3;/q;-2;;;;;;;;
InChIKeyRJTLFPLWEZZILB-UHFFFAOYSA-N
MW761.05 g/mol
LogP12.41
Rot. Bonds5

About bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium

bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium (PubChem CID 159341429) has the molecular formula C46H77N3Y-2 and a molecular weight of 761.05 g/mol. Its IUPAC name is bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium.

Molecular Properties

Compound Namebis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium
PubChem CID159341429
Molecular FormulaC46H77N3Y-2
Molecular Weight761.05 g/mol
Exact Mass760.52
IUPAC Namebis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium
SMILESCC.CC.CC.CC.CCN(C)C.CCN(C)C.CCN(C)CC.[Y].[c-]1ccccc1-c1[c-]cccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C12H8.C5H13N.2C4H11N.4C2H6.Y/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-6(3)5-2;2*1-4-5(2)3;4*1-2;/h1-8H,9H2;1-7,9H;4-5H2,1-3H3;2*4H2,1-3H3;4*1-2H3;/q;-2;;;;;;;;
InChIKeyRJTLFPLWEZZILB-UHFFFAOYSA-N
XLogP12.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.05
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;phenylbenzene;yttrium
CID 161119758
3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium
CID 160627616
ethanamine;9H-fluorene
CID 158316259
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
bis(9H-fluorene);pentane
CID 159146463
ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium
CID 158379429
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)
CID 173317648
bis(9H-fluorene);methane;pentane
CID 158815702
3-ethylpentane;bis(9H-fluorene)
CID 161034043

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium?
The IUPAC name of bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium (CID 159341429) is bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium.
What is the SMILES notation for bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium?
The canonical SMILES for bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium is CC.CC.CC.CC.CCN(C)C.CCN(C)C.CCN(C)CC.[Y].[c-]1ccccc1-c1[c-]cccc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium?
The InChIKey is RJTLFPLWEZZILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C12H8.C5H13N.2C4H11N.4C2H6.Y/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-6(3)5-2;2*1-4-5(2)3;4*1-2;/h1-8H,9H2;1-7,9H;4-5H2,1-3H3;2*4H2,1-3H3;4*1-2H3;/q;-2;;;;;;;;.
What are the key properties of bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium?
bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium has a molecular weight of 761.05 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylethanamine);ethane;N-ethyl-N-methylethanamine;9H-fluorene;phenylbenzene;yttrium is sourced from PubChem (CID 159341429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).