4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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

C316H210N10O15 — CID 161067332

IUPAC4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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
SMILESCc1cc(C)cc(N(c2cc3c4cc(N(c5cc(C)cc(C)c5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.Cc1ccc(C)c(N(c2cc3c4cc(N(c5cc(C)ccc5C)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.Cc1ccc(N(c2cc3c4cc(N(c5ccc(C)c(C)c5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1C.c1ccc(-c2cccc(N(c3cc4c5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2cc3c4cc(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/2C68H42N2O3.3C60H42N2O3/c1-3-21-43(22-4-1)45-25-11-15-35-57(45)69(59-37-19-33-53-49-29-13-17-39-63(49)71-67(53)59)61-41-55-56-42-62(48-28-8-10-32-52(48)66(56)73-65(55)51-31-9-7-27-47(51)61)70(58-36-16-12-26-46(58)44-23-5-2-6-24-44)60-38-20-34-54-50-30-14-18-40-64(50)72-68(54)60;1-3-19-43(20-4-1)45-23-15-25-47(39-45)69(59-35-17-33-55-51-29-11-13-37-63(51)71-67(55)59)61-41-57-58-42-62(50-28-8-10-32-54(50)66(58)73-65(57)53-31-9-7-27-49(53)61)70(48-26-16-24-46(40-48)44-21-5-2-6-22-44)60-36-18-34-56-52-30-12-14-38-64(52)72-68(56)60;1-35-27-36(2)30-39(29-35)61(51-23-13-21-47-43-17-9-11-25-55(43)63-59(47)51)53-33-49-50-34-54(42-16-6-8-20-46(42)58(50)65-57(49)45-19-7-5-15-41(45)53)62(40-31-37(3)28-38(4)32-40)52-24-14-22-48-44-18-10-12-26-56(44)64-60(48)52;1-35-27-29-39(31-37(35)3)61(51-23-13-21-47-43-17-9-11-25-55(43)63-59(47)51)53-33-49-50-34-54(42-16-6-8-20-46(42)58(50)65-57(49)45-19-7-5-15-41(45)53)62(40-30-28-36(2)38(4)32-40)52-24-14-22-48-44-18-10-12-26-56(44)64-60(48)52;1-35-27-29-37(3)51(31-35)61(49-23-13-21-45-41-17-9-11-25-55(41)63-59(45)49)53-33-47-48-34-54(40-16-6-8-20-44(40)58(48)65-57(47)43-19-7-5-15-39(43)53)62(52-32-36(2)28-30-38(52)4)50-24-14-22-46-42-18-10-12-26-56(42)64-60(46)50/h2*1-42H;3*5-34H,1-4H3
InChIKeyUEETUXZSBJPHKI-UHFFFAOYSA-N
MW4387.21 g/mol
LogP93.52
Rot. Bonds34

About 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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 161067332) has the molecular formula C316H210N10O15 and a molecular weight of 4387.21 g/mol. Its IUPAC name is 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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 CID161067332
Molecular FormulaC316H210N10O15
Molecular Weight4387.21 g/mol
Exact Mass4383.60
IUPAC Name4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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
SMILESCc1cc(C)cc(N(c2cc3c4cc(N(c5cc(C)cc(C)c5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.Cc1ccc(C)c(N(c2cc3c4cc(N(c5cc(C)ccc5C)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.Cc1ccc(N(c2cc3c4cc(N(c5ccc(C)c(C)c5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1C.c1ccc(-c2cccc(N(c3cc4c5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2cc3c4cc(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/2C68H42N2O3.3C60H42N2O3/c1-3-21-43(22-4-1)45-25-11-15-35-57(45)69(59-37-19-33-53-49-29-13-17-39-63(49)71-67(53)59)61-41-55-56-42-62(48-28-8-10-32-52(48)66(56)73-65(55)51-31-9-7-27-47(51)61)70(58-36-16-12-26-46(58)44-23-5-2-6-24-44)60-38-20-34-54-50-30-14-18-40-64(50)72-68(54)60;1-3-19-43(20-4-1)45-23-15-25-47(39-45)69(59-35-17-33-55-51-29-11-13-37-63(51)71-67(55)59)61-41-57-58-42-62(50-28-8-10-32-54(50)66(58)73-65(57)53-31-9-7-27-49(53)61)70(48-26-16-24-46(40-48)44-21-5-2-6-22-44)60-36-18-34-56-52-30-12-14-38-64(52)72-68(56)60;1-35-27-36(2)30-39(29-35)61(51-23-13-21-47-43-17-9-11-25-55(43)63-59(47)51)53-33-49-50-34-54(42-16-6-8-20-46(42)58(50)65-57(49)45-19-7-5-15-41(45)53)62(40-31-37(3)28-38(4)32-40)52-24-14-22-48-44-18-10-12-26-56(44)64-60(48)52;1-35-27-29-39(31-37(35)3)61(51-23-13-21-47-43-17-9-11-25-55(43)63-59(47)51)53-33-49-50-34-54(42-16-6-8-20-46(42)58(50)65-57(49)45-19-7-5-15-41(45)53)62(40-30-28-36(2)38(4)32-40)52-24-14-22-48-44-18-10-12-26-56(44)64-60(48)52;1-35-27-29-37(3)51(31-35)61(49-23-13-21-45-41-17-9-11-25-55(41)63-59(45)49)53-33-47-48-34-54(40-16-6-8-20-44(40)58(48)65-57(47)43-19-7-5-15-39(43)53)62(52-32-36(2)28-30-38(52)4)50-24-14-22-46-42-18-10-12-26-56(42)64-60(46)50/h2*1-42H;3*5-34H,1-4H3
InChIKeyUEETUXZSBJPHKI-UHFFFAOYSA-N
XLogP93.52
TPSA229.50 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms341
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004387.21
LogP ≤ 593.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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 161067332) is 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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 Cc1cc(C)cc(N(c2cc3c4cc(N(c5cc(C)cc(C)c5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.Cc1ccc(C)c(N(c2cc3c4cc(N(c5cc(C)ccc5C)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)c1.Cc1ccc(N(c2cc3c4cc(N(c5ccc(C)c(C)c5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1C.c1ccc(-c2cccc(N(c3cc4c5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6ccccc67)c6ccccc6c5oc4c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2cc3c4cc(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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 UEETUXZSBJPHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H42N2O3.3C60H42N2O3/c1-3-21-43(22-4-1)45-25-11-15-35-57(45)69(59-37-19-33-53-49-29-13-17-39-63(49)71-67(53)59)61-41-55-56-42-62(48-28-8-10-32-52(48)66(56)73-65(55)51-31-9-7-27-47(51)61)70(58-36-16-12-26-46(58)44-23-5-2-6-24-44)60-38-20-34-54-50-30-14-18-40-64(50)72-68(54)60;1-3-19-43(20-4-1)45-23-15-25-47(39-45)69(59-35-17-33-55-51-29-11-13-37-63(51)71-67(55)59)61-41-57-58-42-62(50-28-8-10-32-54(50)66(58)73-65(57)53-31-9-7-27-49(53)61)70(48-26-16-24-46(40-48)44-21-5-2-6-22-44)60-36-18-34-56-52-30-12-14-38-64(52)72-68(56)60;1-35-27-36(2)30-39(29-35)61(51-23-13-21-47-43-17-9-11-25-55(43)63-59(47)51)53-33-49-50-34-54(42-16-6-8-20-46(42)58(50)65-57(49)45-19-7-5-15-41(45)53)62(40-31-37(3)28-38(4)32-40)52-24-14-22-48-44-18-10-12-26-56(44)64-60(48)52;1-35-27-29-39(31-37(35)3)61(51-23-13-21-47-43-17-9-11-25-55(43)63-59(47)51)53-33-49-50-34-54(42-16-6-8-20-46(42)58(50)65-57(49)45-19-7-5-15-41(45)53)62(40-30-28-36(2)38(4)32-40)52-24-14-22-48-44-18-10-12-26-56(44)64-60(48)52;1-35-27-29-37(3)51(31-35)61(49-23-13-21-45-41-17-9-11-25-55(41)63-59(45)49)53-33-47-48-34-54(40-16-6-8-20-44(40)58(48)65-57(47)43-19-7-5-15-39(43)53)62(52-32-36(2)28-30-38(52)4)50-24-14-22-46-42-18-10-12-26-56(42)64-60(46)50/h2*1-42H;3*5-34H,1-4H3.
What are the key properties of 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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 4387.21 g/mol, XLogP of 93.52, 34 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-dimethylphenyl)-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,20-N-bis(3,4-dimethylphenyl)-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,20-N-bis(3,5-dimethylphenyl)-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,20-N-bis(2-phenylphenyl)-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,20-N-bis(3-phenylphenyl)-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 161067332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).