4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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

C196H136F2N6O9 — CID 158493634

About 4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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 158493634) has the molecular formula C196H136F2N6O9 and a molecular weight of 2757.27 g/mol. Its IUPAC name is 4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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 Name: 4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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: 158493634
• Molecular Formula: C196H136F2N6O9
• Molecular Weight: 2757.27 g/mol
• Exact Mass: 2755.03
• IUPAC Name: 4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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
• SMILES: Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3cc4c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5oc4c4ccccc34)cccc12.Cc1cccc2c1oc1c(N(c3ccc(F)cc3)c3cc4c5cc(N(c6ccc(F)cc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5oc4c4ccccc34)cccc12.c1ccc(N(c2cc3c4cc(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
• InChI: InChI=1S/C70H46N2O3.C68H54N2O3.C58H36F2N2O3/c1-43-17-13-27-55-57-29-15-31-61(69(57)73-65(43)55)71(49-37-33-47(34-38-49)45-19-5-3-6-20-45)63-41-59-60-42-64(52-24-10-12-26-54(52)68(60)75-67(59)53-25-11-9-23-51(53)63)72(50-39-35-48(36-40-50)46-21-7-4-8-22-46)62-32-16-30-58-56-28-14-18-44(2)66(56)74-70(58)62;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;1-33-11-7-17-43-45-19-9-21-49(57(45)63-53(33)43)61(37-27-23-35(59)24-28-37)51-31-47-48-32-52(40-14-4-6-16-42(40)56(48)65-55(47)41-15-5-3-13-39(41)51)62(38-29-25-36(60)26-30-38)50-22-10-20-46-44-18-8-12-34(2)54(44)64-58(46)50/h3-42H,1-2H3;3-4,9-20,25-44H,1-2,5-8,21-24H2;3-32H,1-2H3
• InChIKey: HIZSOLIIAFAASA-UHFFFAOYSA-N
• XLogP: 58.83
• TPSA: 137.70 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2757.27
LogP ≤ 5	58.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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 158493634) is 4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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 Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3cc4c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5oc4c4ccccc34)cccc12.Cc1cccc2c1oc1c(N(c3ccc(F)cc3)c3cc4c5cc(N(c6ccc(F)cc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5oc4c4ccccc34)cccc12.c1ccc(N(c2cc3c4cc(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.

What is the InChIKey of 4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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 HIZSOLIIAFAASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O3.C68H54N2O3.C58H36F2N2O3/c1-43-17-13-27-55-57-29-15-31-61(69(57)73-65(43)55)71(49-37-33-47(34-38-49)45-19-5-3-6-20-45)63-41-59-60-42-64(52-24-10-12-26-54(52)68(60)75-67(59)53-25-11-9-23-51(53)63)72(50-39-35-48(36-40-50)46-21-7-4-8-22-46)62-32-16-30-58-56-28-14-18-44(2)66(56)74-70(58)62;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;1-33-11-7-17-43-45-19-9-21-49(57(45)63-53(33)43)61(37-27-23-35(59)24-28-37)51-31-47-48-32-52(40-14-4-6-16-42(40)56(48)65-55(47)41-15-5-3-13-39(41)51)62(38-29-25-36(60)26-30-38)50-22-10-20-46-44-18-8-12-34(2)54(44)64-58(46)50/h3-42H,1-2H3;3-4,9-20,25-44H,1-2,5-8,21-24H2;3-32H,1-2H3.

What are the key properties of 4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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 2757.27 g/mol, XLogP of 58.83, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,20-N-bis(6-cyclohexyldibenzofuran-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(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-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(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-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 158493634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).