CID 19914851

C35H26F6N2O4Si2 — CID 19914851

IUPAC—
SMILESC[Si](C)c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4ccc([Si](C)C)cc4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1
InChIInChI=1S/C35H26F6N2O4Si2/c1-48(2)23-11-7-21(8-12-23)42-29(44)25-15-5-19(17-27(25)31(42)46)33(34(36,37)38,35(39,40)41)20-6-16-26-28(18-20)32(47)43(30(26)45)22-9-13-24(14-10-22)49(3)4/h5-18H,1-4H3
InChIKeyNJGUXQBFFQNOER-UHFFFAOYSA-N
MW708.76 g/mol
LogP6.62
Rot. Bonds6

About CID 19914851

CID 19914851 (PubChem CID 19914851) has the molecular formula C35H26F6N2O4Si2 and a molecular weight of 708.76 g/mol.

Molecular Properties

Compound NameCID 19914851
PubChem CID19914851
Molecular FormulaC35H26F6N2O4Si2
Molecular Weight708.76 g/mol
Exact Mass708.13
IUPAC Name—
SMILESC[Si](C)c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4ccc([Si](C)C)cc4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1
InChIInChI=1S/C35H26F6N2O4Si2/c1-48(2)23-11-7-21(8-12-23)42-29(44)25-15-5-19(17-27(25)31(42)46)33(34(36,37)38,35(39,40)41)20-6-16-26-28(18-20)32(47)43(30(26)45)22-9-13-24(14-10-22)49(3)4/h5-18H,1-4H3
InChIKeyNJGUXQBFFQNOER-UHFFFAOYSA-N
XLogP6.62
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.76
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19914851?
The IUPAC name of CID 19914851 (CID 19914851) is not available.
What is the SMILES notation for CID 19914851?
The canonical SMILES for CID 19914851 is C[Si](C)c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4ccc([Si](C)C)cc4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1.
What is the InChIKey of CID 19914851?
The InChIKey is NJGUXQBFFQNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26F6N2O4Si2/c1-48(2)23-11-7-21(8-12-23)42-29(44)25-15-5-19(17-27(25)31(42)46)33(34(36,37)38,35(39,40)41)20-6-16-26-28(18-20)32(47)43(30(26)45)22-9-13-24(14-10-22)49(3)4/h5-18H,1-4H3.
What are the key properties of CID 19914851?
CID 19914851 has a molecular weight of 708.76 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19914851 is sourced from PubChem (CID 19914851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).