N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine

C47H75NPSi2- — CID 132572520

IUPACN,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine
SMILESCC(C)c1cc(C(C)C)c([Si]2(c3c(C(C)C)cc(C(C)C)cc3C(C)C)[P-][Si]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)N(C)C)c(C(C)C)c1
InChIInChI=1S/C47H75NPSi2/c1-27(2)36-21-39(30(7)8)45(40(22-36)31(9)10)50(46-41(32(11)12)23-37(28(3)4)24-42(46)33(13)14)49-51(50,48(19)20)47-43(34(15)16)25-38(29(5)6)26-44(47)35(17)18/h21-35H,1-20H3/q-1
InChIKeyMWBHVVFNNPLRFY-UHFFFAOYSA-N
MW741.27 g/mol
LogP12.81
Rot. Bonds13

About N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine

N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine (PubChem CID 132572520) has the molecular formula C47H75NPSi2- and a molecular weight of 741.27 g/mol. Its IUPAC name is N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine
PubChem CID132572520
Molecular FormulaC47H75NPSi2-
Molecular Weight741.27 g/mol
Exact Mass740.52
IUPAC NameN,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine
SMILESCC(C)c1cc(C(C)C)c([Si]2(c3c(C(C)C)cc(C(C)C)cc3C(C)C)[P-][Si]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)N(C)C)c(C(C)C)c1
InChIInChI=1S/C47H75NPSi2/c1-27(2)36-21-39(30(7)8)45(40(22-36)31(9)10)50(46-41(32(11)12)23-37(28(3)4)24-42(46)33(13)14)49-51(50,48(19)20)47-43(34(15)16)25-38(29(5)6)26-44(47)35(17)18/h21-35H,1-20H3/q-1
InChIKeyMWBHVVFNNPLRFY-UHFFFAOYSA-N
XLogP12.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.27
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine?
The IUPAC name of N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine (CID 132572520) is N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine.
What is the SMILES notation for N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine?
The canonical SMILES for N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine is CC(C)c1cc(C(C)C)c([Si]2(c3c(C(C)C)cc(C(C)C)cc3C(C)C)[P-][Si]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)N(C)C)c(C(C)C)c1.
What is the InChIKey of N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine?
The InChIKey is MWBHVVFNNPLRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H75NPSi2/c1-27(2)36-21-39(30(7)8)45(40(22-36)31(9)10)50(46-41(32(11)12)23-37(28(3)4)24-42(46)33(13)14)49-51(50,48(19)20)47-43(34(15)16)25-38(29(5)6)26-44(47)35(17)18/h21-35H,1-20H3/q-1.
What are the key properties of N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine?
N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine has a molecular weight of 741.27 g/mol, XLogP of 12.81, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3,3-tris[2,4,6-tri(propan-2-yl)phenyl]-1-phosphanida-2,3-disilacyclopropan-2-amine is sourced from PubChem (CID 132572520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).