diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane

C25H26NPSi — CID 101423734

IUPACdiphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane
SMILESC[Si](C)(C)c1ccccc1-n1cccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NPSi/c1-28(2,3)24-18-11-10-17-23(24)26-20-12-19-25(26)27(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-20H,1-3H3
InChIKeyKSAHUSODODSIIC-UHFFFAOYSA-N
MW399.55 g/mol
LogP4.78
Rot. Bonds5

About diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane

diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane (PubChem CID 101423734) has the molecular formula C25H26NPSi and a molecular weight of 399.55 g/mol. Its IUPAC name is diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane
PubChem CID101423734
Molecular FormulaC25H26NPSi
Molecular Weight399.55 g/mol
Exact Mass399.16
IUPAC Namediphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane
SMILESC[Si](C)(C)c1ccccc1-n1cccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NPSi/c1-28(2,3)24-18-11-10-17-23(24)26-20-12-19-25(26)27(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-20H,1-3H3
InChIKeyKSAHUSODODSIIC-UHFFFAOYSA-N
XLogP4.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 54.78
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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Related Compounds

[1-[2-bis(4-methylphenyl)phosphanylphenyl]pyrrol-2-yl]-bis(4-methylphenyl)phosphane
CID 21056937
(E)-2-[[2-(2-diphenylphosphanylpyrrol-1-yl)phenyl]methyl]-3-phenylprop-2-enoic acid
CID 175247596
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
trimethyl-(2-trimethylsilylphenyl)silane
CID 519794
ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
[1-[2-(2-diphenylphosphanyl-3-methylimidazol-3-ium-1-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-diphenylphosphane
CID 101476779
chlorosilver;triphenylphosphane
CID 12824775
plutonium;triphenylphosphane
CID 161300359
CID 87948921
CID 87948921
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane?
The IUPAC name of diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane (CID 101423734) is diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane.
What is the SMILES notation for diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane?
The canonical SMILES for diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane is C[Si](C)(C)c1ccccc1-n1cccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane?
The InChIKey is KSAHUSODODSIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26NPSi/c1-28(2,3)24-18-11-10-17-23(24)26-20-12-19-25(26)27(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-20H,1-3H3.
What are the key properties of diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane?
diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane has a molecular weight of 399.55 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-(2-trimethylsilylphenyl)pyrrol-2-yl]phosphane is sourced from PubChem (CID 101423734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).