[3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane

C34H32N2Si2 — CID 175829726

IUPAC[3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)c1cc(-c2ccc3ccc4cccnc4c3n2)cc([Si](C)(C)c2ccccc2)c1
InChIInChI=1S/C34H32N2Si2/c1-37(2,28-13-7-5-8-14-28)30-22-27(23-31(24-30)38(3,4)29-15-9-6-10-16-29)32-20-19-26-18-17-25-12-11-21-35-33(25)34(26)36-32/h5-24H,1-4H3
InChIKeyNVITUHIYFINXKG-UHFFFAOYSA-N
MW524.82 g/mol
LogP6.10
Rot. Bonds5

About [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane

[3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane (PubChem CID 175829726) has the molecular formula C34H32N2Si2 and a molecular weight of 524.82 g/mol. Its IUPAC name is [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane
PubChem CID175829726
Molecular FormulaC34H32N2Si2
Molecular Weight524.82 g/mol
Exact Mass524.21
IUPAC Name[3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)c1cc(-c2ccc3ccc4cccnc4c3n2)cc([Si](C)(C)c2ccccc2)c1
InChIInChI=1S/C34H32N2Si2/c1-37(2,28-13-7-5-8-14-28)30-22-27(23-31(24-30)38(3,4)29-15-9-6-10-16-29)32-20-19-26-18-17-25-12-11-21-35-33(25)34(26)36-32/h5-24H,1-4H3
InChIKeyNVITUHIYFINXKG-UHFFFAOYSA-N
XLogP6.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.82
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

dichlorocobalt;[3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane
CID 175829725
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-[3-methyl-5-(1,10-phenanthrolin-2-yl)phenyl]-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 144635240
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]-1,10-phenanthroline
CID 142752628
2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
2-methyl-9-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 159054381
2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 167363724
2-[3-(10-phenylanthracen-9-yl)-5-(4-pyrimidin-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 142588778
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
2,9-bis[3-diethylphosphoryl-5-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 118445514
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929

Frequently Asked Questions

What is the IUPAC name of [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane?
The IUPAC name of [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane (CID 175829726) is [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane.
What is the SMILES notation for [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane?
The canonical SMILES for [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)c1cc(-c2ccc3ccc4cccnc4c3n2)cc([Si](C)(C)c2ccccc2)c1.
What is the InChIKey of [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane?
The InChIKey is NVITUHIYFINXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2Si2/c1-37(2,28-13-7-5-8-14-28)30-22-27(23-31(24-30)38(3,4)29-15-9-6-10-16-29)32-20-19-26-18-17-25-12-11-21-35-33(25)34(26)36-32/h5-24H,1-4H3.
What are the key properties of [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane?
[3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane has a molecular weight of 524.82 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethyl(phenyl)silyl]-5-(1,10-phenanthrolin-2-yl)phenyl]-dimethyl-phenylsilane is sourced from PubChem (CID 175829726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).