N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine

C50H45F2N3Si2 — CID 140898200

IUPACN,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine
SMILESC[Si](C)(C)c1cnc(-c2cc(F)cc(N(c3cc(F)cc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)c3)c3cccc4ccccc34)c2)cc1-c1ccccc1
InChIInChI=1S/C50H45F2N3Si2/c1-56(2,3)49-32-53-46(30-44(49)35-16-9-7-10-17-35)37-24-39(51)28-41(26-37)55(48-23-15-21-34-20-13-14-22-43(34)48)42-27-38(25-40(52)29-42)47-31-45(36-18-11-8-12-19-36)50(33-54-47)57(4,5)6/h7-33H,1-6H3
InChIKeyVRLINPWSHLDABF-UHFFFAOYSA-N
MW782.10 g/mol
LogP13.14
Rot. Bonds9

About N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine

N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine (PubChem CID 140898200) has the molecular formula C50H45F2N3Si2 and a molecular weight of 782.10 g/mol. Its IUPAC name is N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine
PubChem CID140898200
Molecular FormulaC50H45F2N3Si2
Molecular Weight782.10 g/mol
Exact Mass781.31
IUPAC NameN,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine
SMILESC[Si](C)(C)c1cnc(-c2cc(F)cc(N(c3cc(F)cc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)c3)c3cccc4ccccc34)c2)cc1-c1ccccc1
InChIInChI=1S/C50H45F2N3Si2/c1-56(2,3)49-32-53-46(30-44(49)35-16-9-7-10-17-35)37-24-39(51)28-41(26-37)55(48-23-15-21-34-20-13-14-22-43(34)48)42-27-38(25-40(52)29-42)47-31-45(36-18-11-8-12-19-36)50(33-54-47)57(4,5)6/h7-33H,1-6H3
InChIKeyVRLINPWSHLDABF-UHFFFAOYSA-N
XLogP13.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.10
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine?
The IUPAC name of N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine (CID 140898200) is N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine is C[Si](C)(C)c1cnc(-c2cc(F)cc(N(c3cc(F)cc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)c3)c3cccc4ccccc34)c2)cc1-c1ccccc1.
What is the InChIKey of N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine?
The InChIKey is VRLINPWSHLDABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45F2N3Si2/c1-56(2,3)49-32-53-46(30-44(49)35-16-9-7-10-17-35)37-24-39(51)28-41(26-37)55(48-23-15-21-34-20-13-14-22-43(34)48)42-27-38(25-40(52)29-42)47-31-45(36-18-11-8-12-19-36)50(33-54-47)57(4,5)6/h7-33H,1-6H3.
What are the key properties of N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine?
N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine has a molecular weight of 782.10 g/mol, XLogP of 13.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-fluoro-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 140898200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).