1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine

C51H85N9Si — CID 88962715

IUPAC1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine
SMILESCC1=C(C)C(C)C([Si](c2c(N(C)C)c(C)c(C)c(N(C)C)c2N(C)C)(c2c(N(C)C)c(C)c(C)c(N(C)C)c2N(C)C)c2c(N(C)C)c(C)c(C)c(N(C)C)c2N(C)C)=C1C
InChIInChI=1S/C51H85N9Si/c1-29-30(2)38(10)48(37(29)9)61(49-42(55(17)18)34(6)31(3)39(52(11)12)45(49)58(23)24,50-43(56(19)20)35(7)32(4)40(53(13)14)46(50)59(25)26)51-44(57(21)22)36(8)33(5)41(54(15)16)47(51)60(27)28/h37H,1-28H3
InChIKeyIXLJYZIFXCWUAM-UHFFFAOYSA-N
MW852.39 g/mol
LogP7.44
Rot. Bonds13

About 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine

1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine (PubChem CID 88962715) has the molecular formula C51H85N9Si and a molecular weight of 852.39 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine
PubChem CID88962715
Molecular FormulaC51H85N9Si
Molecular Weight852.39 g/mol
Exact Mass851.67
IUPAC Name1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine
SMILESCC1=C(C)C(C)C([Si](c2c(N(C)C)c(C)c(C)c(N(C)C)c2N(C)C)(c2c(N(C)C)c(C)c(C)c(N(C)C)c2N(C)C)c2c(N(C)C)c(C)c(C)c(N(C)C)c2N(C)C)=C1C
InChIInChI=1S/C51H85N9Si/c1-29-30(2)38(10)48(37(29)9)61(49-42(55(17)18)34(6)31(3)39(52(11)12)45(49)58(23)24,50-43(56(19)20)35(7)32(4)40(53(13)14)46(50)59(25)26)51-44(57(21)22)36(8)33(5)41(54(15)16)47(51)60(27)28/h37H,1-28H3
InChIKeyIXLJYZIFXCWUAM-UHFFFAOYSA-N
XLogP7.44
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.39
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine?
The IUPAC name of 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine (CID 88962715) is 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine?
The canonical SMILES for 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine is CC1=C(C)C(C)C([Si](c2c(N(C)C)c(C)c(C)c(N(C)C)c2N(C)C)(c2c(N(C)C)c(C)c(C)c(N(C)C)c2N(C)C)c2c(N(C)C)c(C)c(C)c(N(C)C)c2N(C)C)=C1C.
What is the InChIKey of 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine?
The InChIKey is IXLJYZIFXCWUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H85N9Si/c1-29-30(2)38(10)48(37(29)9)61(49-42(55(17)18)34(6)31(3)39(52(11)12)45(49)58(23)24,50-43(56(19)20)35(7)32(4)40(53(13)14)46(50)59(25)26)51-44(57(21)22)36(8)33(5)41(54(15)16)47(51)60(27)28/h37H,1-28H3.
What are the key properties of 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine?
1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine has a molecular weight of 852.39 g/mol, XLogP of 7.44, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N,4-N,4-N,5,6-octamethyl-3-[(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)-bis[2,3,6-tris(dimethylamino)-4,5-dimethylphenyl]silyl]benzene-1,2,4-triamine is sourced from PubChem (CID 88962715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).