4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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

C270H212N8O12 — CID 160963441

IUPAC4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(C)cc5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.Cc1cccc(N(c2cc3c4cc(N(c5cccc(C)c5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)c1.Cc1ccccc1N(c1cc2c3cc(N(c4ccccc4C)c4cccc5c4oc4c(C6CCCC6)cccc45)c4ccccc4c3oc2c2ccccc12)c1cccc2c1oc1c(C3CCCC3)cccc12.c1ccc(N(c2cc3c4cc(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1
InChIInChI=1S/3C68H54N2O3.C66H50N2O3/c1-41-19-3-13-35-57(41)69(59-37-17-33-53-51-31-15-29-45(43-21-5-6-22-43)63(51)72-67(53)59)61-39-55-56-40-62(48-26-10-12-28-50(48)66(56)71-65(55)49-27-11-9-25-47(49)61)70(58-36-14-4-20-42(58)2)60-38-18-34-54-52-32-16-30-46(44-23-7-8-24-44)64(52)73-68(54)60;1-41-17-11-23-45(37-41)69(59-35-15-33-55-53-31-13-29-47(43-19-3-4-20-43)63(53)72-67(55)59)61-39-57-58-40-62(50-26-8-10-28-52(50)66(58)71-65(57)51-27-9-7-25-49(51)61)70(46-24-12-18-42(2)38-46)60-36-16-34-56-54-32-14-30-48(44-21-5-6-22-44)64(54)73-68(56)60;1-41-31-35-45(36-32-41)69(59-29-13-27-55-53-25-11-23-47(43-15-3-4-16-43)63(53)72-67(55)59)61-39-57-58-40-62(50-20-8-10-22-52(50)66(58)71-65(57)51-21-9-7-19-49(51)61)70(46-37-33-42(2)34-38-46)60-30-14-28-56-54-26-12-24-48(44-17-5-6-18-44)64(54)73-68(56)60;1-3-23-43(24-4-1)67(57-37-17-35-53-51-33-15-31-45(41-19-7-8-20-41)61(51)70-65(53)57)59-39-55-56-40-60(48-28-12-14-30-50(48)64(56)69-63(55)49-29-13-11-27-47(49)59)68(44-25-5-2-6-26-44)58-38-18-36-54-52-34-16-32-46(42-21-9-10-22-42)62(52)71-66(54)58/h3-4,9-20,25-40,43-44H,5-8,21-24H2,1-2H3;7-18,23-40,43-44H,3-6,19-22H2,1-2H3;7-14,19-40,43-44H,3-6,15-18H2,1-2H3;1-6,11-18,23-42H,7-10,19-22H2
InChIKeySXHMPKFEIDHIIS-UHFFFAOYSA-N
MW3760.71 g/mol
LogP81.63
Rot. Bonds32

About 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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 160963441) has the molecular formula C270H212N8O12 and a molecular weight of 3760.71 g/mol. Its IUPAC name is 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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 CID160963441
Molecular FormulaC270H212N8O12
Molecular Weight3760.71 g/mol
Exact Mass3757.62
IUPAC Name4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(C)cc5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.Cc1cccc(N(c2cc3c4cc(N(c5cccc(C)c5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)c1.Cc1ccccc1N(c1cc2c3cc(N(c4ccccc4C)c4cccc5c4oc4c(C6CCCC6)cccc45)c4ccccc4c3oc2c2ccccc12)c1cccc2c1oc1c(C3CCCC3)cccc12.c1ccc(N(c2cc3c4cc(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1
InChIInChI=1S/3C68H54N2O3.C66H50N2O3/c1-41-19-3-13-35-57(41)69(59-37-17-33-53-51-31-15-29-45(43-21-5-6-22-43)63(51)72-67(53)59)61-39-55-56-40-62(48-26-10-12-28-50(48)66(56)71-65(55)49-27-11-9-25-47(49)61)70(58-36-14-4-20-42(58)2)60-38-18-34-54-52-32-16-30-46(44-23-7-8-24-44)64(52)73-68(54)60;1-41-17-11-23-45(37-41)69(59-35-15-33-55-53-31-13-29-47(43-19-3-4-20-43)63(53)72-67(55)59)61-39-57-58-40-62(50-26-8-10-28-52(50)66(58)71-65(57)51-27-9-7-25-49(51)61)70(46-24-12-18-42(2)38-46)60-36-16-34-56-54-32-14-30-48(44-21-5-6-22-44)64(54)73-68(56)60;1-41-31-35-45(36-32-41)69(59-29-13-27-55-53-25-11-23-47(43-15-3-4-16-43)63(53)72-67(55)59)61-39-57-58-40-62(50-20-8-10-22-52(50)66(58)71-65(57)51-21-9-7-19-49(51)61)70(46-37-33-42(2)34-38-46)60-30-14-28-56-54-26-12-24-48(44-17-5-6-18-44)64(54)73-68(56)60;1-3-23-43(24-4-1)67(57-37-17-35-53-51-33-15-31-45(41-19-7-8-20-41)61(51)70-65(53)57)59-39-55-56-40-60(48-28-12-14-30-50(48)64(56)69-63(55)49-29-13-11-27-47(49)59)68(44-25-5-2-6-26-44)58-38-18-36-54-52-34-16-32-46(42-21-9-10-22-42)62(52)71-66(54)58/h3-4,9-20,25-40,43-44H,5-8,21-24H2,1-2H3;7-18,23-40,43-44H,3-6,19-22H2,1-2H3;7-14,19-40,43-44H,3-6,15-18H2,1-2H3;1-6,11-18,23-42H,7-10,19-22H2
InChIKeySXHMPKFEIDHIIS-UHFFFAOYSA-N
XLogP81.63
TPSA183.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms290
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003760.71
LogP ≤ 581.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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 160963441) is 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(C)cc5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.Cc1cccc(N(c2cc3c4cc(N(c5cccc(C)c5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)c1.Cc1ccccc1N(c1cc2c3cc(N(c4ccccc4C)c4cccc5c4oc4c(C6CCCC6)cccc45)c4ccccc4c3oc2c2ccccc12)c1cccc2c1oc1c(C3CCCC3)cccc12.c1ccc(N(c2cc3c4cc(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.
What is the InChIKey of 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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 SXHMPKFEIDHIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C68H54N2O3.C66H50N2O3/c1-41-19-3-13-35-57(41)69(59-37-17-33-53-51-31-15-29-45(43-21-5-6-22-43)63(51)72-67(53)59)61-39-55-56-40-62(48-26-10-12-28-50(48)66(56)71-65(55)49-27-11-9-25-47(49)61)70(58-36-14-4-20-42(58)2)60-38-18-34-54-52-32-16-30-46(44-23-7-8-24-44)64(52)73-68(54)60;1-41-17-11-23-45(37-41)69(59-35-15-33-55-53-31-13-29-47(43-19-3-4-20-43)63(53)72-67(55)59)61-39-57-58-40-62(50-26-8-10-28-52(50)66(58)71-65(57)51-27-9-7-25-49(51)61)70(46-24-12-18-42(2)38-46)60-36-16-34-56-54-32-14-30-48(44-21-5-6-22-44)64(54)73-68(56)60;1-41-31-35-45(36-32-41)69(59-29-13-27-55-53-25-11-23-47(43-15-3-4-16-43)63(53)72-67(55)59)61-39-57-58-40-62(50-20-8-10-22-52(50)66(58)71-65(57)51-21-9-7-19-49(51)61)70(46-37-33-42(2)34-38-46)60-30-14-28-56-54-26-12-24-48(44-17-5-6-18-44)64(54)73-68(56)60;1-3-23-43(24-4-1)67(57-37-17-35-53-51-33-15-31-45(41-19-7-8-20-41)61(51)70-65(53)57)59-39-55-56-40-60(48-28-12-14-30-50(48)64(56)69-63(55)49-29-13-11-27-47(49)59)68(44-25-5-2-6-26-44)58-38-18-36-54-52-34-16-32-46(42-21-9-10-22-42)62(52)71-66(54)58/h3-4,9-20,25-40,43-44H,5-8,21-24H2,1-2H3;7-18,23-40,43-44H,3-6,19-22H2,1-2H3;7-14,19-40,43-44H,3-6,15-18H2,1-2H3;1-6,11-18,23-42H,7-10,19-22H2.
What are the key properties of 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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 3760.71 g/mol, XLogP of 81.63, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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 160963441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).