1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine

C256H248N8O8Si8 — CID 162059029

IUPAC1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine
SMILESC=Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c2oc2c(C(C)C)cccc23)c2ccc3ccc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(C(C)C)cccc45)cc3c12.C=Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c2oc2c(CC)cccc23)c2ccc3ccc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(CC)cccc45)cc3c12.CCCCc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c6c(ccc3c46)=CCC5N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3c(CCCC)cccc34)cccc12.CCCc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c6c(ccc3c46)=CCC5N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3c(CCC)cccc34)cccc12
InChIInChI=1S/C66H66N2O2Si2.2C64H62N2O2Si2.C62H58N2O2Si2/c1-9-11-17-45-19-13-21-51-53-23-15-25-59(65(53)69-63(45)51)67(47-31-35-49(36-32-47)71(3,4)5)57-41-29-43-28-40-56-58(42-30-44-27-39-55(57)61(43)62(44)56)68(48-33-37-50(38-34-48)72(6,7)8)60-26-16-24-54-52-22-14-20-46(18-12-10-2)64(52)70-66(54)60;1-9-15-43-17-11-19-49-51-21-13-23-57(63(51)67-61(43)49)65(45-29-33-47(34-30-45)69(3,4)5)55-39-27-41-26-38-54-56(40-28-42-25-37-53(55)59(41)60(42)54)66(46-31-35-48(36-32-46)70(6,7)8)58-24-14-22-52-50-20-12-18-44(16-10-2)62(50)68-64(52)58;1-12-42-27-38-57(66(45-31-35-48(36-32-45)70(9,10)11)59-24-16-22-54-52-20-14-18-50(41(4)5)62(52)68-64(54)59)55-37-26-43-25-28-46(39-56(43)60(42)55)65(44-29-33-47(34-30-44)69(6,7)8)58-23-15-21-53-51-19-13-17-49(40(2)3)61(51)67-63(53)58;1-10-40-27-38-55(64(45-31-35-48(36-32-45)68(7,8)9)57-24-16-22-52-50-20-14-18-42(12-3)60(50)66-62(52)57)53-37-26-43-25-28-46(39-54(43)58(40)53)63(44-29-33-47(34-30-44)67(4,5)6)56-23-15-21-51-49-19-13-17-41(11-2)59(49)65-61(51)56/h13-16,19-41,58H,9-12,17-18,42H2,1-8H3;11-14,17-39,56H,9-10,15-16,40H2,1-8H3;12-41H,1H2,2-11H3;10,13-39H,1,11-12H2,2-9H3
InChIKeyYZOPEDALRNDQPE-UHFFFAOYSA-N
MW3789.54 g/mol
LogP71.16
Rot. Bonds48

About 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine

1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine (PubChem CID 162059029) has the molecular formula C256H248N8O8Si8 and a molecular weight of 3789.54 g/mol. Its IUPAC name is 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine
PubChem CID162059029
Molecular FormulaC256H248N8O8Si8
Molecular Weight3789.54 g/mol
Exact Mass3785.74
IUPAC Name1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine
SMILESC=Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c2oc2c(C(C)C)cccc23)c2ccc3ccc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(C(C)C)cccc45)cc3c12.C=Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c2oc2c(CC)cccc23)c2ccc3ccc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(CC)cccc45)cc3c12.CCCCc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c6c(ccc3c46)=CCC5N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3c(CCCC)cccc34)cccc12.CCCc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c6c(ccc3c46)=CCC5N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3c(CCC)cccc34)cccc12
InChIInChI=1S/C66H66N2O2Si2.2C64H62N2O2Si2.C62H58N2O2Si2/c1-9-11-17-45-19-13-21-51-53-23-15-25-59(65(53)69-63(45)51)67(47-31-35-49(36-32-47)71(3,4)5)57-41-29-43-28-40-56-58(42-30-44-27-39-55(57)61(43)62(44)56)68(48-33-37-50(38-34-48)72(6,7)8)60-26-16-24-54-52-22-14-20-46(18-12-10-2)64(52)70-66(54)60;1-9-15-43-17-11-19-49-51-21-13-23-57(63(51)67-61(43)49)65(45-29-33-47(34-30-45)69(3,4)5)55-39-27-41-26-38-54-56(40-28-42-25-37-53(55)59(41)60(42)54)66(46-31-35-48(36-32-46)70(6,7)8)58-24-14-22-52-50-20-12-18-44(16-10-2)62(50)68-64(52)58;1-12-42-27-38-57(66(45-31-35-48(36-32-45)70(9,10)11)59-24-16-22-54-52-20-14-18-50(41(4)5)62(52)68-64(54)59)55-37-26-43-25-28-46(39-56(43)60(42)55)65(44-29-33-47(34-30-44)69(6,7)8)58-23-15-21-53-51-19-13-17-49(40(2)3)61(51)67-63(53)58;1-10-40-27-38-55(64(45-31-35-48(36-32-45)68(7,8)9)57-24-16-22-52-50-20-14-18-42(12-3)60(50)66-62(52)57)53-37-26-43-25-28-46(39-54(43)58(40)53)63(44-29-33-47(34-30-44)67(4,5)6)56-23-15-21-51-49-19-13-17-41(11-2)59(49)65-61(51)56/h13-16,19-41,58H,9-12,17-18,42H2,1-8H3;11-14,17-39,56H,9-10,15-16,40H2,1-8H3;12-41H,1H2,2-11H3;10,13-39H,1,11-12H2,2-9H3
InChIKeyYZOPEDALRNDQPE-UHFFFAOYSA-N
XLogP71.16
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds48
Heavy Atoms280
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003789.54
LogP ≤ 571.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine (CID 162059029) is 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine is C=Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c2oc2c(C(C)C)cccc23)c2ccc3ccc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(C(C)C)cccc45)cc3c12.C=Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c2oc2c(CC)cccc23)c2ccc3ccc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(CC)cccc45)cc3c12.CCCCc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c6c(ccc3c46)=CCC5N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3c(CCCC)cccc34)cccc12.CCCc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c6c(ccc3c46)=CCC5N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3c(CCC)cccc34)cccc12.
What is the InChIKey of 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine?
The InChIKey is YZOPEDALRNDQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H66N2O2Si2.2C64H62N2O2Si2.C62H58N2O2Si2/c1-9-11-17-45-19-13-21-51-53-23-15-25-59(65(53)69-63(45)51)67(47-31-35-49(36-32-47)71(3,4)5)57-41-29-43-28-40-56-58(42-30-44-27-39-55(57)61(43)62(44)56)68(48-33-37-50(38-34-48)72(6,7)8)60-26-16-24-54-52-22-14-20-46(18-12-10-2)64(52)70-66(54)60;1-9-15-43-17-11-19-49-51-21-13-23-57(63(51)67-61(43)49)65(45-29-33-47(34-30-45)69(3,4)5)55-39-27-41-26-38-54-56(40-28-42-25-37-53(55)59(41)60(42)54)66(46-31-35-48(36-32-46)70(6,7)8)58-24-14-22-52-50-20-12-18-44(16-10-2)62(50)68-64(52)58;1-12-42-27-38-57(66(45-31-35-48(36-32-45)70(9,10)11)59-24-16-22-54-52-20-14-18-50(41(4)5)62(52)68-64(54)59)55-37-26-43-25-28-46(39-56(43)60(42)55)65(44-29-33-47(34-30-44)69(6,7)8)58-23-15-21-53-51-19-13-17-49(40(2)3)61(51)67-63(53)58;1-10-40-27-38-55(64(45-31-35-48(36-32-45)68(7,8)9)57-24-16-22-52-50-20-14-18-42(12-3)60(50)66-62(52)57)53-37-26-43-25-28-46(39-54(43)58(40)53)63(44-29-33-47(34-30-44)67(4,5)6)56-23-15-21-51-49-19-13-17-41(11-2)59(49)65-61(51)56/h13-16,19-41,58H,9-12,17-18,42H2,1-8H3;11-14,17-39,56H,9-10,15-16,40H2,1-8H3;12-41H,1H2,2-11H3;10,13-39H,1,11-12H2,2-9H3.
What are the key properties of 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine?
1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine has a molecular weight of 3789.54 g/mol, XLogP of 71.16, 48 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine is sourced from PubChem (CID 162059029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).