9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile

C362H280N12O15 — CID 163742154

About 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile

9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile (PubChem CID 163742154) has the molecular formula C362H280N12O15 and a molecular weight of 5038.29 g/mol. Its IUPAC name is 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile.

Molecular Properties

• Compound Name: 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile
• PubChem CID: 163742154
• Molecular Formula: C362H280N12O15
• Molecular Weight: 5038.29 g/mol
• Exact Mass: 5034.15
• IUPAC Name: 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile
• SMILES: CC(C)(C)c1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12.CC(C)(C)c1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3cc4oc5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12.CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3-c3ccccc3)c3cc4oc5cc(N(c6ccccc6-c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12.Cc1ccc(C)c(N(c2cc3oc4cc(N(c5cc(C)ccc5C)c5cccc6c5oc5c(C(C)(C)C)cccc56)c5ccccc5c4c3c3ccccc23)c2cccc3c2oc2c(C(C)(C)C)cccc23)c1.[C-]#[N+]c1ccc(N(c2cc3oc4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)c5ccccc5c4c3c3ccccc23)c2cccc3c2oc2c(C(C)(C)C)cccc23)cc1
• InChI: InChI=1S/3C76H58N2O3.C68H58N2O3.C66H48N4O3/c1-75(2,3)61-39-19-35-57-59-37-21-41-63(73(59)80-71(57)61)77(51-29-17-27-49(43-51)47-23-9-7-10-24-47)65-45-67-69(55-33-15-13-31-53(55)65)70-56-34-16-14-32-54(56)66(46-68(70)79-67)78(52-30-18-28-50(44-52)48-25-11-8-12-26-48)64-42-22-38-60-58-36-20-40-62(76(4,5)6)72(58)81-74(60)64;1-75(2,3)61-33-17-29-57-59-31-19-35-63(73(59)80-71(57)61)77(51-41-37-49(38-42-51)47-21-9-7-10-22-47)65-45-67-69(55-27-15-13-25-53(55)65)70-56-28-16-14-26-54(56)66(46-68(70)79-67)78(52-43-39-50(40-44-52)48-23-11-8-12-24-48)64-36-20-32-60-58-30-18-34-62(76(4,5)6)72(58)81-74(60)64;1-75(2,3)59-39-21-35-55-57-37-23-43-63(73(57)80-71(55)59)77(61-41-19-17-29-49(61)47-25-9-7-10-26-47)65-45-67-69(53-33-15-13-31-51(53)65)70-54-34-16-14-32-52(54)66(46-68(70)79-67)78(62-42-20-18-30-50(62)48-27-11-8-12-28-48)64-44-24-38-58-56-36-22-40-60(76(4,5)6)72(56)81-74(58)64;1-39-31-33-41(3)55(35-39)69(53-29-17-25-49-47-23-15-27-51(67(5,6)7)63(47)72-65(49)53)57-37-59-61(45-21-13-11-19-43(45)57)62-46-22-14-12-20-44(46)58(38-60(62)71-59)70(56-36-40(2)32-34-42(56)4)54-30-18-26-50-48-24-16-28-52(68(8,9)10)64(48)73-66(50)54;1-65(2,3)51-24-12-20-47-49-22-14-26-53(63(49)72-61(47)51)69(41-32-28-39(38-67)29-33-41)55-36-57-59(45-18-10-8-16-43(45)55)60-46-19-11-9-17-44(46)56(37-58(60)71-57)70(42-34-30-40(68-7)31-35-42)54-27-15-23-50-48-21-13-25-52(66(4,5)6)62(48)73-64(50)54/h3*7-46H,1-6H3;11-38H,1-10H3;8-37H,1-6H3
• InChIKey: LIRQOFRVOIXOEJ-UHFFFAOYSA-N
• XLogP: 107.79
• TPSA: 257.65 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 389
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5038.29
LogP ≤ 5	107.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile?

The IUPAC name of 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile (CID 163742154) is 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile.

What is the SMILES notation for 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile?

The canonical SMILES for 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile is CC(C)(C)c1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12.CC(C)(C)c1cccc2c1oc1c(N(c3cccc(-c4ccccc4)c3)c3cc4oc5cc(N(c6cccc(-c7ccccc7)c6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12.CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3-c3ccccc3)c3cc4oc5cc(N(c6ccccc6-c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12.Cc1ccc(C)c(N(c2cc3oc4cc(N(c5cc(C)ccc5C)c5cccc6c5oc5c(C(C)(C)C)cccc56)c5ccccc5c4c3c3ccccc23)c2cccc3c2oc2c(C(C)(C)C)cccc23)c1.[C-]#[N+]c1ccc(N(c2cc3oc4cc(N(c5ccc(C#N)cc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)c5ccccc5c4c3c3ccccc23)c2cccc3c2oc2c(C(C)(C)C)cccc23)cc1.

What is the InChIKey of 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile?

The InChIKey is LIRQOFRVOIXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C76H58N2O3.C68H58N2O3.C66H48N4O3/c1-75(2,3)61-39-19-35-57-59-37-21-41-63(73(59)80-71(57)61)77(51-29-17-27-49(43-51)47-23-9-7-10-24-47)65-45-67-69(55-33-15-13-31-53(55)65)70-56-34-16-14-32-54(56)66(46-68(70)79-67)78(52-30-18-28-50(44-52)48-25-11-8-12-26-48)64-42-22-38-60-58-36-20-40-62(76(4,5)6)72(58)81-74(60)64;1-75(2,3)61-33-17-29-57-59-31-19-35-63(73(59)80-71(57)61)77(51-41-37-49(38-42-51)47-21-9-7-10-22-47)65-45-67-69(55-27-15-13-25-53(55)65)70-56-28-16-14-26-54(56)66(46-68(70)79-67)78(52-43-39-50(40-44-52)48-23-11-8-12-24-48)64-36-20-32-60-58-30-18-34-62(76(4,5)6)72(58)81-74(60)64;1-75(2,3)59-39-21-35-55-57-37-23-43-63(73(57)80-71(55)59)77(61-41-19-17-29-49(61)47-25-9-7-10-26-47)65-45-67-69(53-33-15-13-31-51(53)65)70-54-34-16-14-32-52(54)66(46-68(70)79-67)78(62-42-20-18-30-50(62)48-27-11-8-12-28-48)64-44-24-38-58-56-36-22-40-60(76(4,5)6)72(56)81-74(58)64;1-39-31-33-41(3)55(35-39)69(53-29-17-25-49-47-23-15-27-51(67(5,6)7)63(47)72-65(49)53)57-37-59-61(45-21-13-11-19-43(45)57)62-46-22-14-12-20-44(46)58(38-60(62)71-59)70(56-36-40(2)32-34-42(56)4)54-30-18-26-50-48-24-16-28-52(68(8,9)10)64(48)73-66(50)54;1-65(2,3)51-24-12-20-47-49-22-14-26-53(63(49)72-61(47)51)69(41-32-28-39(38-67)29-33-41)55-36-57-59(45-18-10-8-16-43(45)55)60-46-19-11-9-17-44(46)56(37-58(60)71-57)70(42-34-30-40(68-7)31-35-42)54-27-15-23-50-48-21-13-25-52(66(4,5)6)62(48)73-64(50)54/h3*7-46H,1-6H3;11-38H,1-10H3;8-37H,1-6H3.

What are the key properties of 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile?

9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile has a molecular weight of 5038.29 g/mol, XLogP of 107.79, 36 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2,5-dimethylphenyl)-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(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(3-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;9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-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-[(6-tert-butyldibenzofuran-4-yl)-[15-(N-(6-tert-butyldibenzofuran-4-yl)-4-isocyanoanilino)-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]amino]benzonitrile is sourced from PubChem (CID 163742154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).