1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile

C154H152F2N6Si8 — CID 158341766

IUPAC1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile
SMILESC[Si](C)(C)c1ccc(-c2ccc(N(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C(N(c3ccc(F)cc3)c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3-c3ccc([Si](C)(C)C)cc3)C=C5)c3ccc(F)cc3)c(-c3ccc([Si](C)(C)C)cc3)c2)cc1.[C-]#[N+]c1ccc(N(C2=C3C=CC4=C5C(=CC=C(C=C2)C35)C(N(c2ccc(C#N)cc2)c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccc([Si](C)(C)C)cc2)C=C4)c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C78H76N4Si4.C76H76F2N2Si4/c1-80-62-30-34-64(35-31-62)82(76-49-29-61(55-18-38-66(39-19-55)84(5,6)7)51-72(76)57-22-42-68(43-23-57)86(11,12)13)74-47-27-59-24-44-69-73(46-26-58-25-45-70(74)78(59)77(58)69)81(63-32-14-53(52-79)15-33-63)75-48-28-60(54-16-36-65(37-17-54)83(2,3)4)50-71(75)56-20-40-67(41-21-56)85(8,9)10;1-81(2,3)63-35-13-51(14-36-63)57-25-47-73(69(49-57)53-17-39-65(40-18-53)83(7,8)9)79(61-31-27-59(77)28-32-61)71-45-23-55-22-44-68-72(46-24-56-21-43-67(71)75(55)76(56)68)80(62-33-29-60(78)30-34-62)74-48-26-58(52-15-37-64(38-16-52)82(4,5)6)50-70(74)54-19-41-66(42-20-54)84(10,11)12/h14-51,73,78H,2-13H3;13-50,71,76H,1-12H3
InChIKeyGRGDDFBZQYQWIU-UHFFFAOYSA-N
MW2349.64 g/mol
LogP37.95
Rot. Bonds28

About 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile

1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile (PubChem CID 158341766) has the molecular formula C154H152F2N6Si8 and a molecular weight of 2349.64 g/mol. Its IUPAC name is 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile.

Molecular Properties

Compound Name1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile
PubChem CID158341766
Molecular FormulaC154H152F2N6Si8
Molecular Weight2349.64 g/mol
Exact Mass2347.02
IUPAC Name1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile
SMILESC[Si](C)(C)c1ccc(-c2ccc(N(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C(N(c3ccc(F)cc3)c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3-c3ccc([Si](C)(C)C)cc3)C=C5)c3ccc(F)cc3)c(-c3ccc([Si](C)(C)C)cc3)c2)cc1.[C-]#[N+]c1ccc(N(C2=C3C=CC4=C5C(=CC=C(C=C2)C35)C(N(c2ccc(C#N)cc2)c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccc([Si](C)(C)C)cc2)C=C4)c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C78H76N4Si4.C76H76F2N2Si4/c1-80-62-30-34-64(35-31-62)82(76-49-29-61(55-18-38-66(39-19-55)84(5,6)7)51-72(76)57-22-42-68(43-23-57)86(11,12)13)74-47-27-59-24-44-69-73(46-26-58-25-45-70(74)78(59)77(58)69)81(63-32-14-53(52-79)15-33-63)75-48-28-60(54-16-36-65(37-17-54)83(2,3)4)50-71(75)56-20-40-67(41-21-56)85(8,9)10;1-81(2,3)63-35-13-51(14-36-63)57-25-47-73(69(49-57)53-17-39-65(40-18-53)83(7,8)9)79(61-31-27-59(77)28-32-61)71-45-23-55-22-44-68-72(46-24-56-21-43-67(71)75(55)76(56)68)80(62-33-29-60(78)30-34-62)74-48-26-58(52-15-37-64(38-16-52)82(4,5)6)50-70(74)54-19-41-66(42-20-54)84(10,11)12/h14-51,73,78H,2-13H3;13-50,71,76H,1-12H3
InChIKeyGRGDDFBZQYQWIU-UHFFFAOYSA-N
XLogP37.95
TPSA41.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002349.64
LogP ≤ 537.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile with MolForge

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Related Compounds

6-N-[2,4-bis(2,4-dimethylphenyl)phenyl]-1-N-[4-(2,4-dimethylphenyl)-2-(2-methylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(2,4-dimethylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-4-(2,4-dimethylphenyl)-2-(2-methylphenyl)anilino]benzonitrile
CID 158413014
3-(N-[6-(N-(3-isocyanophenyl)-2,4-diphenylanilino)-1,10c-dihydropyren-1-yl]-2,4-diphenylanilino)benzonitrile
CID 59357713
4-[N-[6-(N-[2,4-bis(2-methylphenyl)phenyl]-4-cyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(2-methylphenyl)anilino]benzonitrile
CID 89056823
3-[N-[6-[N-(3-cyanophenyl)-2,4-bis(4-methylphenyl)anilino]-1,10c-dihydropyren-1-yl]-2,4-bis(4-methylphenyl)anilino]benzonitrile
CID 89056864
1-N,6-N-bis(2,4-dinaphthalen-1-ylphenyl)-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine
CID 59357557
1-N,6-N-bis[2,4-bis(4-tert-butylphenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;2-[N-[6-[2,4-bis(4-tert-butylphenyl)-N-(2-isocyanophenyl)anilino]-1,10c-dihydropyren-1-yl]-2,4-bis(4-tert-butylphenyl)anilino]benzonitrile
CID 161448928
3-[N-[6-[N-(3-cyanophenyl)-2,4-bis(2,4-dimethylphenyl)anilino]-1,10c-dihydropyren-1-yl]-2,4-bis(2,4-dimethylphenyl)anilino]benzonitrile
CID 90429430
1-N,6-N-bis[2,4-bis(2,6-dimethylphenyl)phenyl]-1-N,6-N-bis[3-(trifluoromethyl)phenyl]-1,10c-dihydropyrene-1,6-diamine
CID 59358050
1-N,6-N-bis[2,4-bis(2-trimethylsilylphenyl)phenyl]-1-N,6-N-bis[3-(trifluoromethyl)phenyl]-1,10c-dihydropyrene-1,6-diamine
CID 59358117
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
9-N,15-N-bis(4-fluorophenyl)-9-N,15-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(2-phenylphenyl)-9-N,15-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;4-(N-[15-(N-(4-isocyanophenyl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)benzonitrile;4-(N-[15-(N-(4-isocyanophenyl)-4-methylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-4-methylanilino)benzonitrile;9-N-(4-methylphenyl)-9-N,15-N-diphenyl-15-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 158333740
4-(N-[4-[4-[(E)-2-[4-(4-isocyano-N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-1-yl]-4-trimethylsilylanilino)benzonitrile
CID 140615347

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile?
The IUPAC name of 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile (CID 158341766) is 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile.
What is the SMILES notation for 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile?
The canonical SMILES for 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile is C[Si](C)(C)c1ccc(-c2ccc(N(C3=C4C=CC5=C6C(=CC=C(C=C3)C46)C(N(c3ccc(F)cc3)c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3-c3ccc([Si](C)(C)C)cc3)C=C5)c3ccc(F)cc3)c(-c3ccc([Si](C)(C)C)cc3)c2)cc1.[C-]#[N+]c1ccc(N(C2=C3C=CC4=C5C(=CC=C(C=C2)C35)C(N(c2ccc(C#N)cc2)c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccc([Si](C)(C)C)cc2)C=C4)c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile?
The InChIKey is GRGDDFBZQYQWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H76N4Si4.C76H76F2N2Si4/c1-80-62-30-34-64(35-31-62)82(76-49-29-61(55-18-38-66(39-19-55)84(5,6)7)51-72(76)57-22-42-68(43-23-57)86(11,12)13)74-47-27-59-24-44-69-73(46-26-58-25-45-70(74)78(59)77(58)69)81(63-32-14-53(52-79)15-33-63)75-48-28-60(54-16-36-65(37-17-54)83(2,3)4)50-71(75)56-20-40-67(41-21-56)85(8,9)10;1-81(2,3)63-35-13-51(14-36-63)57-25-47-73(69(49-57)53-17-39-65(40-18-53)83(7,8)9)79(61-31-27-59(77)28-32-61)71-45-23-55-22-44-68-72(46-24-56-21-43-67(71)75(55)76(56)68)80(62-33-29-60(78)30-34-62)74-48-26-58(52-15-37-64(38-16-52)82(4,5)6)50-70(74)54-19-41-66(42-20-54)84(10,11)12/h14-51,73,78H,2-13H3;13-50,71,76H,1-12H3.
What are the key properties of 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile?
1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile has a molecular weight of 2349.64 g/mol, XLogP of 37.95, 28 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis[2,4-bis(4-trimethylsilylphenyl)phenyl]-1-N,6-N-bis(4-fluorophenyl)-1,10c-dihydropyrene-1,6-diamine;4-[N-[6-(N-[2,4-bis(4-trimethylsilylphenyl)phenyl]-4-isocyanoanilino)-1,10c-dihydropyren-1-yl]-2,4-bis(4-trimethylsilylphenyl)anilino]benzonitrile is sourced from PubChem (CID 158341766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).