2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine

C33H51ClN6Si — CID 88962662

IUPAC2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)cc([Si](Cl)(c2cc(N(C)C)cc(C)c2N(C)C)c2cc(N(C)C)cc(C)c2N(C)C)c1N(C)C
InChIInChI=1S/C33H51ClN6Si/c1-22-16-25(35(4)5)19-28(31(22)38(10)11)41(34,29-20-26(36(6)7)17-23(2)32(29)39(12)13)30-21-27(37(8)9)18-24(3)33(30)40(14)15/h16-21H,1-15H3
InChIKeyZGXUHPDVTDXROW-UHFFFAOYSA-N
MW595.35 g/mol
LogP4.21
Rot. Bonds9

About 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine

2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine (PubChem CID 88962662) has the molecular formula C33H51ClN6Si and a molecular weight of 595.35 g/mol. Its IUPAC name is 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine
PubChem CID88962662
Molecular FormulaC33H51ClN6Si
Molecular Weight595.35 g/mol
Exact Mass594.36
IUPAC Name2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)cc([Si](Cl)(c2cc(N(C)C)cc(C)c2N(C)C)c2cc(N(C)C)cc(C)c2N(C)C)c1N(C)C
InChIInChI=1S/C33H51ClN6Si/c1-22-16-25(35(4)5)19-28(31(22)38(10)11)41(34,29-20-26(36(6)7)17-23(2)32(29)39(12)13)30-21-27(37(8)9)18-24(3)33(30)40(14)15/h16-21H,1-15H3
InChIKeyZGXUHPDVTDXROW-UHFFFAOYSA-N
XLogP4.21
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine?
The IUPAC name of 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine (CID 88962662) is 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine.
What is the SMILES notation for 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine?
The canonical SMILES for 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine is Cc1cc(N(C)C)cc([Si](Cl)(c2cc(N(C)C)cc(C)c2N(C)C)c2cc(N(C)C)cc(C)c2N(C)C)c1N(C)C.
What is the InChIKey of 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine?
The InChIKey is ZGXUHPDVTDXROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51ClN6Si/c1-22-16-25(35(4)5)19-28(31(22)38(10)11)41(34,29-20-26(36(6)7)17-23(2)32(29)39(12)13)30-21-27(37(8)9)18-24(3)33(30)40(14)15/h16-21H,1-15H3.
What are the key properties of 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine?
2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine has a molecular weight of 595.35 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2,5-bis(dimethylamino)-3-methylphenyl]-chlorosilyl]-1-N,1-N,4-N,4-N,6-pentamethylbenzene-1,4-diamine is sourced from PubChem (CID 88962662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).