6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

C194H122N6O9 — CID 159224268

About 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine

6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (PubChem CID 159224268) has the molecular formula C194H122N6O9 and a molecular weight of 2681.14 g/mol. Its IUPAC name is 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.

Molecular Properties

• Compound Name: 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
• PubChem CID: 159224268
• Molecular Formula: C194H122N6O9
• Molecular Weight: 2681.14 g/mol
• Exact Mass: 2678.93
• IUPAC Name: 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
• SMILES: Cc1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccc(C)cc7)c7cccc8c7oc7ccccc78)ccc6c5c43)c2)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccc7cc(N(c8cccc(-c9ccccc9)c8)c8cccc9c8oc8ccccc89)ccc7c6c54)c3)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7-c7ccccc7)c7cccc8c7oc7ccccc78)ccc6c5c43)c2)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/2C68H42N2O3.C58H38N2O3/c1-3-17-43(18-4-1)49-21-7-11-27-57(49)69(59-29-15-25-55-53-23-9-13-31-61(53)72-67(55)59)47-35-37-51-45(41-47)33-39-63-65(51)66-52-38-36-48(42-46(52)34-40-64(66)71-63)70(58-28-12-8-22-50(58)44-19-5-2-6-20-44)60-30-16-26-56-54-24-10-14-32-62(54)73-68(56)60;1-3-15-43(16-4-1)45-19-11-21-49(39-45)69(59-27-13-25-57-55-23-7-9-29-61(55)72-67(57)59)51-33-35-53-47(41-51)31-37-63-65(53)66-54-36-34-52(42-48(54)32-38-64(66)71-63)70(50-22-12-20-46(40-50)44-17-5-2-6-18-44)60-28-14-26-58-56-24-8-10-30-62(56)73-68(58)60;1-35-17-23-39(24-18-35)59(49-13-7-11-47-45-9-3-5-15-51(45)62-57(47)49)41-27-29-43-37(33-41)21-31-53-55(43)56-44-30-28-42(34-38(44)22-32-54(56)61-53)60(40-25-19-36(2)20-26-40)50-14-8-12-48-46-10-4-6-16-52(46)63-58(48)50/h2*1-42H;3-34H,1-2H3
• InChIKey: KSBXIRAEUIJNSC-UHFFFAOYSA-N
• XLogP: 57.18
• TPSA: 137.70 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2681.14
LogP ≤ 5	57.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?

The IUPAC name of 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine (CID 159224268) is 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine.

What is the SMILES notation for 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?

The canonical SMILES for 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is Cc1ccc(N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccc(C)cc7)c7cccc8c7oc7ccccc78)ccc6c5c43)c2)c2cccc3c2oc2ccccc23)cc1.c1ccc(-c2cccc(N(c3ccc4c(ccc5oc6ccc7cc(N(c8cccc(-c9ccccc9)c8)c8cccc9c8oc8ccccc89)ccc7c6c54)c3)c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(ccc4oc5ccc6cc(N(c7ccccc7-c7ccccc7)c7cccc8c7oc7ccccc78)ccc6c5c43)c2)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?

The InChIKey is KSBXIRAEUIJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H42N2O3.C58H38N2O3/c1-3-17-43(18-4-1)49-21-7-11-27-57(49)69(59-29-15-25-55-53-23-9-13-31-61(53)72-67(55)59)47-35-37-51-45(41-47)33-39-63-65(51)66-52-38-36-48(42-46(52)34-40-64(66)71-63)70(58-28-12-8-22-50(58)44-19-5-2-6-20-44)60-30-16-26-56-54-24-10-14-32-62(54)73-68(56)60;1-3-15-43(16-4-1)45-19-11-21-49(39-45)69(59-27-13-25-57-55-23-7-9-29-61(55)72-67(57)59)51-33-35-53-47(41-51)31-37-63-65(53)66-54-36-34-52(42-48(54)32-38-64(66)71-63)70(50-22-12-20-46(40-50)44-17-5-2-6-18-44)60-28-14-26-58-56-24-8-10-30-62(56)73-68(58)60;1-35-17-23-39(24-18-35)59(49-13-7-11-47-45-9-3-5-15-51(45)62-57(47)49)41-27-29-43-37(33-41)21-31-53-55(43)56-44-30-28-42(34-38(44)22-32-54(56)61-53)60(40-25-19-36(2)20-26-40)50-14-8-12-48-46-10-4-6-16-52(46)63-58(48)50/h2*1-42H;3-34H,1-2H3.

What are the key properties of 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine?

6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine has a molecular weight of 2681.14 g/mol, XLogP of 57.18, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine is sourced from PubChem (CID 159224268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).