4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine

C312H196F2N12O15Si — CID 158992079

IUPAC4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
SMILESCc1ccc(N(c2cc3c4cc(N(c5ccc([Si](C)(C)C)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.Cc1ccccc1N(c1cc2c3cc(N(c4ccccc4C)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c3oc2c2ccccc12)c1cccc2c1oc1c(-c3ccccc3)cccc12.Fc1ccc(N(c2cc3c4cc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2cc3c4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c6cc(N(c7ccccc7)c7cccc8c7oc7c(-c9ccccc9)cccc78)c7ccccc7c6oc5c5ccccc45)cccc23)cc1
InChIInChI=1S/C70H46N2O3.C68H42N2O3.C60H44N2O3Si.C58H32N4O3.C56H32F2N2O3/c1-43-21-9-15-37-59(43)71(61-39-19-35-55-53-33-17-31-47(65(53)74-69(55)61)45-23-5-3-6-24-45)63-41-57-58-42-64(50-28-12-14-30-52(50)68(58)73-67(57)51-29-13-11-27-49(51)63)72(60-38-16-10-22-44(60)2)62-40-20-36-56-54-34-18-32-48(66(54)75-70(56)62)46-25-7-4-8-26-46;1-5-21-43(22-6-1)47-33-17-35-53-55-37-19-39-59(67(55)72-63(47)53)69(45-25-9-3-10-26-45)61-41-57-58-42-62(50-30-14-16-32-52(50)66(58)71-65(57)51-31-15-13-29-49(51)61)70(46-27-11-4-12-28-46)60-40-20-38-56-54-36-18-34-48(64(54)73-68(56)60)44-23-7-2-8-24-44;1-37-27-29-38(30-28-37)61(51-23-13-21-47-43-17-9-11-25-55(43)63-59(47)51)53-35-49-50-36-54(42-16-6-8-20-46(42)58(50)65-57(49)45-19-7-5-15-41(45)53)62(39-31-33-40(34-32-39)66(2,3)4)52-24-14-22-48-44-18-10-12-26-56(44)64-60(48)52;1-60-36-26-30-38(31-27-36)62(50-21-11-19-46-42-15-7-9-23-54(42)64-58(46)50)52-33-48-47-32-51(39-12-2-4-16-43(39)55(47)65-56(48)44-17-5-3-13-40(44)52)61(37-28-24-35(34-59)25-29-37)49-20-10-18-45-41-14-6-8-22-53(41)63-57(45)49;57-33-23-27-35(28-24-33)59(47-19-9-17-43-39-13-5-7-21-51(39)61-55(43)47)49-31-45-46-32-50(38-12-2-4-16-42(38)54(46)63-53(45)41-15-3-1-11-37(41)49)60(36-29-25-34(58)26-30-36)48-20-10-18-44-40-14-6-8-22-52(40)62-56(44)48/h3-42H,1-2H3;1-42H;5-36H,1-4H3;2-33H;1-32H
InChIKeyJQHAUZDKGUOSOJ-UHFFFAOYSA-N
MW4419.15 g/mol
LogP91.99
Rot. Bonds35

About 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine

4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine (PubChem CID 158992079) has the molecular formula C312H196F2N12O15Si and a molecular weight of 4419.15 g/mol. Its IUPAC name is 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine.

Molecular Properties

Compound Name4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
PubChem CID158992079
Molecular FormulaC312H196F2N12O15Si
Molecular Weight4419.15 g/mol
Exact Mass4415.47
IUPAC Name4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
SMILESCc1ccc(N(c2cc3c4cc(N(c5ccc([Si](C)(C)C)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.Cc1ccccc1N(c1cc2c3cc(N(c4ccccc4C)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c3oc2c2ccccc12)c1cccc2c1oc1c(-c3ccccc3)cccc12.Fc1ccc(N(c2cc3c4cc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2cc3c4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c6cc(N(c7ccccc7)c7cccc8c7oc7c(-c9ccccc9)cccc78)c7ccccc7c6oc5c5ccccc45)cccc23)cc1
InChIInChI=1S/C70H46N2O3.C68H42N2O3.C60H44N2O3Si.C58H32N4O3.C56H32F2N2O3/c1-43-21-9-15-37-59(43)71(61-39-19-35-55-53-33-17-31-47(65(53)74-69(55)61)45-23-5-3-6-24-45)63-41-57-58-42-64(50-28-12-14-30-52(50)68(58)73-67(57)51-29-13-11-27-49(51)63)72(60-38-16-10-22-44(60)2)62-40-20-36-56-54-34-18-32-48(66(54)75-70(56)62)46-25-7-4-8-26-46;1-5-21-43(22-6-1)47-33-17-35-53-55-37-19-39-59(67(55)72-63(47)53)69(45-25-9-3-10-26-45)61-41-57-58-42-62(50-30-14-16-32-52(50)66(58)71-65(57)51-31-15-13-29-49(51)61)70(46-27-11-4-12-28-46)60-40-20-38-56-54-36-18-34-48(64(54)73-68(56)60)44-23-7-2-8-24-44;1-37-27-29-38(30-28-37)61(51-23-13-21-47-43-17-9-11-25-55(43)63-59(47)51)53-35-49-50-36-54(42-16-6-8-20-46(42)58(50)65-57(49)45-19-7-5-15-41(45)53)62(39-31-33-40(34-32-39)66(2,3)4)52-24-14-22-48-44-18-10-12-26-56(44)64-60(48)52;1-60-36-26-30-38(31-27-36)62(50-21-11-19-46-42-15-7-9-23-54(42)64-58(46)50)52-33-48-47-32-51(39-12-2-4-16-43(39)55(47)65-56(48)44-17-5-3-13-40(44)52)61(37-28-24-35(34-59)25-29-37)49-20-10-18-45-41-14-6-8-22-53(41)63-57(45)49;57-33-23-27-35(28-24-33)59(47-19-9-17-43-39-13-5-7-21-51(39)61-55(43)47)49-31-45-46-32-50(38-12-2-4-16-42(38)54(46)63-53(45)41-15-3-1-11-37(41)49)60(36-29-25-34(58)26-30-36)48-20-10-18-44-40-14-6-8-22-52(40)62-56(44)48/h3-42H,1-2H3;1-42H;5-36H,1-4H3;2-33H;1-32H
InChIKeyJQHAUZDKGUOSOJ-UHFFFAOYSA-N
XLogP91.99
TPSA257.65 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms342
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004419.15
LogP ≤ 591.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The IUPAC name of 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine (CID 158992079) is 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine.
What is the SMILES notation for 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The canonical SMILES for 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine is Cc1ccc(N(c2cc3c4cc(N(c5ccc([Si](C)(C)C)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.Cc1ccccc1N(c1cc2c3cc(N(c4ccccc4C)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c3oc2c2ccccc12)c1cccc2c1oc1c(-c3ccccc3)cccc12.Fc1ccc(N(c2cc3c4cc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.[C-]#[N+]c1ccc(N(c2cc3c4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c6cc(N(c7ccccc7)c7cccc8c7oc7c(-c9ccccc9)cccc78)c7ccccc7c6oc5c5ccccc45)cccc23)cc1.
What is the InChIKey of 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The InChIKey is JQHAUZDKGUOSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O3.C68H42N2O3.C60H44N2O3Si.C58H32N4O3.C56H32F2N2O3/c1-43-21-9-15-37-59(43)71(61-39-19-35-55-53-33-17-31-47(65(53)74-69(55)61)45-23-5-3-6-24-45)63-41-57-58-42-64(50-28-12-14-30-52(50)68(58)73-67(57)51-29-13-11-27-49(51)63)72(60-38-16-10-22-44(60)2)62-40-20-36-56-54-34-18-32-48(66(54)75-70(56)62)46-25-7-4-8-26-46;1-5-21-43(22-6-1)47-33-17-35-53-55-37-19-39-59(67(55)72-63(47)53)69(45-25-9-3-10-26-45)61-41-57-58-42-62(50-30-14-16-32-52(50)66(58)71-65(57)51-31-15-13-29-49(51)61)70(46-27-11-4-12-28-46)60-40-20-38-56-54-36-18-34-48(64(54)73-68(56)60)44-23-7-2-8-24-44;1-37-27-29-38(30-28-37)61(51-23-13-21-47-43-17-9-11-25-55(43)63-59(47)51)53-35-49-50-36-54(42-16-6-8-20-46(42)58(50)65-57(49)45-19-7-5-15-41(45)53)62(39-31-33-40(34-32-39)66(2,3)4)52-24-14-22-48-44-18-10-12-26-56(44)64-60(48)52;1-60-36-26-30-38(31-27-36)62(50-21-11-19-46-42-15-7-9-23-54(42)64-58(46)50)52-33-48-47-32-51(39-12-2-4-16-43(39)55(47)65-56(48)44-17-5-3-13-40(44)52)61(37-28-24-35(34-59)25-29-37)49-20-10-18-45-41-14-6-8-22-53(41)63-57(45)49;57-33-23-27-35(28-24-33)59(47-19-9-17-43-39-13-5-7-21-51(39)61-55(43)47)49-31-45-46-32-50(38-12-2-4-16-42(38)54(46)63-53(45)41-15-3-1-11-37(41)49)60(36-29-25-34(58)26-30-36)48-20-10-18-44-40-14-6-8-22-52(40)62-56(44)48/h3-42H,1-2H3;1-42H;5-36H,1-4H3;2-33H;1-32H.
What are the key properties of 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine has a molecular weight of 4419.15 g/mol, XLogP of 91.99, 35 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-yl-4-isocyanoanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]benzonitrile;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-diphenyl-4-N,20-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine is sourced from PubChem (CID 158992079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).