2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile

C78H72F2N4Si4 — CID 90429425

IUPAC2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile
SMILESC[Si](C)(C)c1ccc(-c2cc(F)c(N(c3ccccc3C#N)c3ccc4ccc5c(N(c6ccccc6C#N)c6c(F)cc(-c7ccc([Si](C)(C)C)cc7)cc6-c6ccc([Si](C)(C)C)cc6)ccc6ccc3c4c65)c(-c3ccc([Si](C)(C)C)cc3)c2)cc1
InChIInChI=1S/C78H72F2N4Si4/c1-85(2,3)61-33-21-51(22-34-61)59-45-67(53-25-37-63(38-26-53)87(7,8)9)77(69(79)47-59)83(71-19-15-13-17-57(71)49-81)73-43-31-55-30-42-66-74(44-32-56-29-41-65(73)75(55)76(56)66)84(72-20-16-14-18-58(72)50-82)78-68(54-27-39-64(40-28-54)88(10,11)12)46-60(48-70(78)80)52-23-35-62(36-24-52)86(4,5)6/h13-48H,1-12H3
InChIKeyQRKBBZRSEWCQRT-UHFFFAOYSA-N
MW1215.80 g/mol
LogP20.39
Rot. Bonds14

About 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile

2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile (PubChem CID 90429425) has the molecular formula C78H72F2N4Si4 and a molecular weight of 1215.80 g/mol. Its IUPAC name is 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile.

Molecular Properties

Compound Name2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile
PubChem CID90429425
Molecular FormulaC78H72F2N4Si4
Molecular Weight1215.80 g/mol
Exact Mass1214.48
IUPAC Name2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile
SMILESC[Si](C)(C)c1ccc(-c2cc(F)c(N(c3ccccc3C#N)c3ccc4ccc5c(N(c6ccccc6C#N)c6c(F)cc(-c7ccc([Si](C)(C)C)cc7)cc6-c6ccc([Si](C)(C)C)cc6)ccc6ccc3c4c65)c(-c3ccc([Si](C)(C)C)cc3)c2)cc1
InChIInChI=1S/C78H72F2N4Si4/c1-85(2,3)61-33-21-51(22-34-61)59-45-67(53-25-37-63(38-26-53)87(7,8)9)77(69(79)47-59)83(71-19-15-13-17-57(71)49-81)73-43-31-55-30-42-66-74(44-32-56-29-41-65(73)75(55)76(56)66)84(72-20-16-14-18-58(72)50-82)78-68(54-27-39-64(40-28-54)88(10,11)12)46-60(48-70(78)80)52-23-35-62(36-24-52)86(4,5)6/h13-48H,1-12H3
InChIKeyQRKBBZRSEWCQRT-UHFFFAOYSA-N
XLogP20.39
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.80
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile 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

1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine
CID 59357645
1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(2-trimethylsilylphenyl)pyrene-1,6-diamine
CID 59357649
1-N,6-N-bis(2-tert-butylphenyl)-1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]pyrene-1,6-diamine
CID 59357783
1-N,6-N-bis[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine
CID 59357685
1-N,6-N-bis[2,4-bis(4-tert-butylphenyl)-6-fluorophenyl]-1-N,6-N-dinaphthalen-1-ylpyrene-1,6-diamine
CID 59357909
4-[N-[6-(N-[2,4-difluoro-6-(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)pyren-1-yl]-2,4-difluoro-6-(4-trimethylsilylphenyl)anilino]benzonitrile
CID 58099279
1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine
CID 90264158
1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine
CID 59357994
2-(N-[2-(2-cyano-N-(2-fluoro-4,6-diphenylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]-2-fluoro-4,6-diphenylanilino)benzonitrile
CID 163713323
3-[N-[6-(N-[2,4-bis(4-tert-butylphenyl)-6-fluorophenyl]-3-cyanoanilino)pyren-1-yl]-2,4-bis(4-tert-butylphenyl)-6-fluoroanilino]benzonitrile
CID 59358046
CID 159830028
CID 159830028
4-[N-[6-(4-cyano-N-[2,4-difluoro-6-(4-phenylphenyl)phenyl]anilino)pyren-1-yl]-2,4-difluoro-6-(4-phenylphenyl)anilino]benzonitrile
CID 88985251

Frequently Asked Questions

What is the IUPAC name of 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile?
The IUPAC name of 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile (CID 90429425) is 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile.
What is the SMILES notation for 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile?
The canonical SMILES for 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile is C[Si](C)(C)c1ccc(-c2cc(F)c(N(c3ccccc3C#N)c3ccc4ccc5c(N(c6ccccc6C#N)c6c(F)cc(-c7ccc([Si](C)(C)C)cc7)cc6-c6ccc([Si](C)(C)C)cc6)ccc6ccc3c4c65)c(-c3ccc([Si](C)(C)C)cc3)c2)cc1.
What is the InChIKey of 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile?
The InChIKey is QRKBBZRSEWCQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H72F2N4Si4/c1-85(2,3)61-33-21-51(22-34-61)59-45-67(53-25-37-63(38-26-53)87(7,8)9)77(69(79)47-59)83(71-19-15-13-17-57(71)49-81)73-43-31-55-30-42-66-74(44-32-56-29-41-65(73)75(55)76(56)66)84(72-20-16-14-18-58(72)50-82)78-68(54-27-39-64(40-28-54)88(10,11)12)46-60(48-70(78)80)52-23-35-62(36-24-52)86(4,5)6/h13-48H,1-12H3.
What are the key properties of 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile?
2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile has a molecular weight of 1215.80 g/mol, XLogP of 20.39, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[6-(2-cyano-N-[2-fluoro-4,6-bis(4-trimethylsilylphenyl)phenyl]anilino)pyren-1-yl]-2-fluoro-4,6-bis(4-trimethylsilylphenyl)anilino]benzonitrile is sourced from PubChem (CID 90429425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).