4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline

C30H28N2Si — CID 170897442

IUPAC4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline
SMILESC[Si]1(C)C(c2ccc(N)cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(N)cc1
InChIInChI=1S/C30H28N2Si/c1-33(2)29(23-13-17-25(31)18-14-23)27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)30(33)24-15-19-26(32)20-16-24/h3-20H,31-32H2,1-2H3
InChIKeySYHDXBXMTFFLDS-UHFFFAOYSA-N
MW444.65 g/mol
LogP7.17
Rot. Bonds4

About 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline

4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline (PubChem CID 170897442) has the molecular formula C30H28N2Si and a molecular weight of 444.65 g/mol. Its IUPAC name is 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline.

Molecular Properties

Compound Name4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline
PubChem CID170897442
Molecular FormulaC30H28N2Si
Molecular Weight444.65 g/mol
Exact Mass444.20
IUPAC Name4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline
SMILESC[Si]1(C)C(c2ccc(N)cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(N)cc1
InChIInChI=1S/C30H28N2Si/c1-33(2)29(23-13-17-25(31)18-14-23)27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)30(33)24-15-19-26(32)20-16-24/h3-20H,31-32H2,1-2H3
InChIKeySYHDXBXMTFFLDS-UHFFFAOYSA-N
XLogP7.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.65
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-2,3,4,5-tetraphenylsilole
CID 139118741
1,1,2,3-tetramethyl-4,5-diphenylsilole
CID 15329320
1,1-dimethyl-2,5-dinaphthalen-2-yl-3,4-diphenylsilole
CID 54302855
1-chloro-1-methyl-2,3,4,5-tetraphenylsilole
CID 12722878
1-methyl-1-[2-(1-methyl-2,3,4,5-tetraphenylsilol-1-yl)ethyl]-2,3,4,5-tetraphenylsilole
CID 13131416
2-(1,1-dimethyl-3,4-diphenyl-5-pyrimidin-2-ylsilol-2-yl)pyrimidine
CID 18792351
5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene
CID 122365519
3,4-bis[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-2,5-diphenylsilole
CID 101405789
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
1-tert-butyl-1-(1-tert-butyl-2,3,4,5-tetraphenylsilol-1-yl)-2,3,4,5-tetraphenylsilole
CID 14661892
ethane;1,1,2,5-tetramethyl-3,4-diphenylsilole
CID 163897080
aniline;azane;1,1'-biphenyl
CID 172863138

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline?
The IUPAC name of 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline (CID 170897442) is 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline.
What is the SMILES notation for 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline?
The canonical SMILES for 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline is C[Si]1(C)C(c2ccc(N)cc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(N)cc1.
What is the InChIKey of 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline?
The InChIKey is SYHDXBXMTFFLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2Si/c1-33(2)29(23-13-17-25(31)18-14-23)27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)30(33)24-15-19-26(32)20-16-24/h3-20H,31-32H2,1-2H3.
What are the key properties of 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline?
4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline has a molecular weight of 444.65 g/mol, XLogP of 7.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenyl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]aniline is sourced from PubChem (CID 170897442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).