4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline

C32H53NSi2 — CID 66742694

IUPAC4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline
SMILESC=C(c1ccccc1)c1ccc(N([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C32H53NSi2/c1-23(2)34(24(3)4,25(5)6)33(35(26(7)8,27(9)10)28(11)12)32-21-19-31(20-22-32)29(13)30-17-15-14-16-18-30/h14-28H,13H2,1-12H3
InChIKeyHGEOFFICWHDJQZ-UHFFFAOYSA-N
MW507.96 g/mol
LogP10.91
Rot. Bonds11

About 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline

4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline (PubChem CID 66742694) has the molecular formula C32H53NSi2 and a molecular weight of 507.96 g/mol. Its IUPAC name is 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline.

Molecular Properties

Compound Name4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline
PubChem CID66742694
Molecular FormulaC32H53NSi2
Molecular Weight507.96 g/mol
Exact Mass507.37
IUPAC Name4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline
SMILESC=C(c1ccccc1)c1ccc(N([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C32H53NSi2/c1-23(2)34(24(3)4,25(5)6)33(35(26(7)8,27(9)10)28(11)12)32-21-19-31(20-22-32)29(13)30-17-15-14-16-18-30/h14-28H,13H2,1-12H3
InChIKeyHGEOFFICWHDJQZ-UHFFFAOYSA-N
XLogP10.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.96
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline?
The IUPAC name of 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline (CID 66742694) is 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline.
What is the SMILES notation for 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline?
The canonical SMILES for 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline is C=C(c1ccccc1)c1ccc(N([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline?
The InChIKey is HGEOFFICWHDJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53NSi2/c1-23(2)34(24(3)4,25(5)6)33(35(26(7)8,27(9)10)28(11)12)32-21-19-31(20-22-32)29(13)30-17-15-14-16-18-30/h14-28H,13H2,1-12H3.
What are the key properties of 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline?
4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline has a molecular weight of 507.96 g/mol, XLogP of 10.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethenyl)-N,N-bis[tri(propan-2-yl)silyl]aniline is sourced from PubChem (CID 66742694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).