2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine

C45H42FGeN — CID 134904792

IUPAC2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine
SMILESCc1cc(C)c([Ge](F)(C(=C=NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C45H42FGeN/c1-32-27-34(3)43(35(4)28-32)47(46,44-36(5)29-33(2)30-37(44)6)42(38-19-11-7-12-20-38)31-48-45(39-21-13-8-14-22-39,40-23-15-9-16-24-40)41-25-17-10-18-26-41/h7-30H,1-6H3
InChIKeyOAKGHJVLMWPZDY-UHFFFAOYSA-N
MW688.45 g/mol
LogP9.85
Rot. Bonds8

About 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine

2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine (PubChem CID 134904792) has the molecular formula C45H42FGeN and a molecular weight of 688.45 g/mol. Its IUPAC name is 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine.

Molecular Properties

Compound Name2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine
PubChem CID134904792
Molecular FormulaC45H42FGeN
Molecular Weight688.45 g/mol
Exact Mass689.25
IUPAC Name2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine
SMILESCc1cc(C)c([Ge](F)(C(=C=NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C45H42FGeN/c1-32-27-34(3)43(35(4)28-32)47(46,44-36(5)29-33(2)30-37(44)6)42(38-19-11-7-12-20-38)31-48-45(39-21-13-8-14-22-39,40-23-15-9-16-24-40)41-25-17-10-18-26-41/h7-30H,1-6H3
InChIKeyOAKGHJVLMWPZDY-UHFFFAOYSA-N
XLogP9.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.45
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine?
The IUPAC name of 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine (CID 134904792) is 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine.
What is the SMILES notation for 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine?
The canonical SMILES for 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine is Cc1cc(C)c([Ge](F)(C(=C=NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine?
The InChIKey is OAKGHJVLMWPZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42FGeN/c1-32-27-34(3)43(35(4)28-32)47(46,44-36(5)29-33(2)30-37(44)6)42(38-19-11-7-12-20-38)31-48-45(39-21-13-8-14-22-39,40-23-15-9-16-24-40)41-25-17-10-18-26-41/h7-30H,1-6H3.
What are the key properties of 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine?
2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine has a molecular weight of 688.45 g/mol, XLogP of 9.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-bis(2,4,6-trimethylphenyl)germyl]-2-phenyl-N-tritylethenimine is sourced from PubChem (CID 134904792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).