N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine

C33H38F5NSi — CID 141042779

IUPACN-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine
SMILESCCCCCCCCC[Si](CC)(CC)N(c1ccc2c(F)cccc2c1)c1ccc(F)c2c(F)c(F)c(F)cc12
InChIInChI=1S/C33H38F5NSi/c1-4-7-8-9-10-11-12-20-40(5-2,6-3)39(24-16-17-25-23(21-24)14-13-15-27(25)34)30-19-18-28(35)31-26(30)22-29(36)32(37)33(31)38/h13-19,21-22H,4-12,20H2,1-3H3
InChIKeyNSBFNVPHAICSMD-UHFFFAOYSA-N
MW571.75 g/mol
LogP11.56
Rot. Bonds13

About N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine

N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine (PubChem CID 141042779) has the molecular formula C33H38F5NSi and a molecular weight of 571.75 g/mol. Its IUPAC name is N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine
PubChem CID141042779
Molecular FormulaC33H38F5NSi
Molecular Weight571.75 g/mol
Exact Mass571.27
IUPAC NameN-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine
SMILESCCCCCCCCC[Si](CC)(CC)N(c1ccc2c(F)cccc2c1)c1ccc(F)c2c(F)c(F)c(F)cc12
InChIInChI=1S/C33H38F5NSi/c1-4-7-8-9-10-11-12-20-40(5-2,6-3)39(24-16-17-25-23(21-24)14-13-15-27(25)34)30-19-18-28(35)31-26(30)22-29(36)32(37)33(31)38/h13-19,21-22H,4-12,20H2,1-3H3
InChIKeyNSBFNVPHAICSMD-UHFFFAOYSA-N
XLogP11.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.75
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)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

Related Compounds

N-butyl-2,3,4,5,10-pentafluoro-N-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)anthracen-1-amine
CID 141042862
7-fluoro-1-hexyl-2-benzofuran
CID 91572357
N,N-dipentylpyren-1-amine
CID 87211130
1-N,3-N,6-N,8-N-tetrakis[4-methoxy-2-(4-octylphenyl)phenyl]-1-N,3-N,6-N,8-N-tetrakis(3,4,5-trifluorophenyl)pyrene-1,3,6,8-tetramine
CID 176876762
1,2-difluoro-6-(4-hexylphenyl)naphthalene
CID 139846673
2,3,4-trifluoro-N-heptyl-N-octylbenzamide
CID 533120
4-decyl-N-methylnaphthalen-2-amine
CID 174691059
6-pentylnaphthalen-1-ol
CID 69480806
decyl 3,8-difluoroanthracene-1-carboxylate
CID 19787059
6-(dibutylamino)naphthalene-1-carboxylic acid
CID 69135598
6-hexyl-N-methylnaphthalen-1-amine
CID 174703881
1-butoxy-6,7-difluoronaphthalene
CID 70812007

Frequently Asked Questions

What is the IUPAC name of N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine?
The IUPAC name of N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine (CID 141042779) is N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine.
What is the SMILES notation for N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine?
The canonical SMILES for N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine is CCCCCCCCC[Si](CC)(CC)N(c1ccc2c(F)cccc2c1)c1ccc(F)c2c(F)c(F)c(F)cc12.
What is the InChIKey of N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine?
The InChIKey is NSBFNVPHAICSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F5NSi/c1-4-7-8-9-10-11-12-20-40(5-2,6-3)39(24-16-17-25-23(21-24)14-13-15-27(25)34)30-19-18-28(35)31-26(30)22-29(36)32(37)33(31)38/h13-19,21-22H,4-12,20H2,1-3H3.
What are the key properties of N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine?
N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine has a molecular weight of 571.75 g/mol, XLogP of 11.56, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethyl(nonyl)silyl]-4,5,6,7-tetrafluoro-N-(5-fluoronaphthalen-2-yl)naphthalen-1-amine is sourced from PubChem (CID 141042779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).