N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine

C158H255N3O5S3 — CID 165067752

About N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine

N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine (PubChem CID 165067752) has the molecular formula C158H255N3O5S3 and a molecular weight of 2373.00 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine.

Molecular Properties

• Compound Name: N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine
• PubChem CID: 165067752
• Molecular Formula: C158H255N3O5S3
• Molecular Weight: 2373.00 g/mol
• Exact Mass: 2370.90
• IUPAC Name: N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine
• SMILES: C1CCC(C2CCC(C3CCC(N(C4CCC(C5CCC(C6CCCCC6)CC5)CC4)C4C5CCCCC5CC5C6CCC7OC8CCCCC8C7C6SC54)CC3)CC2)CC1.C1CCC(C2CCC(N(C3CCC(C4CCCC(C5CCCCC5)C4)CC3)C3CCCC4C5CCC6OC7C8CCCCC8CCC7C6C5SC43)CC2)CC1.C1CCC(C2CCC(N(C3CCC4C(C3)OC3CCCCC34)C3CCCC4C5CCCCC5OC43)C3SC4C(CCC5OC6CCCCC6C54)C23)CC1
• InChI: InChI=1S/C58H95NOS.C52H85NOS.C48H75NO3S/c1-3-11-38(12-4-1)40-19-23-42(24-20-40)44-27-31-47(32-28-44)59(48-33-29-45(30-34-48)43-25-21-41(22-26-43)39-13-5-2-6-14-39)56-49-16-8-7-15-46(49)37-52-50-35-36-54-55(57(50)61-58(52)56)51-17-9-10-18-53(51)60-54;1-3-11-34(12-4-1)36-21-26-41(27-22-36)53(42-28-23-37(24-29-42)40-17-9-16-39(33-40)35-13-5-2-6-14-35)47-20-10-19-44-45-31-32-48-49(52(45)55-51(44)47)46-30-25-38-15-7-8-18-43(38)50(46)54-48;1-2-11-28(12-3-1)30-23-25-38(48-44(30)36-24-26-42-45(47(36)53-48)35-15-6-9-20-41(35)50-42)49(29-21-22-33-31-13-4-7-18-39(31)51-43(33)27-29)37-17-10-16-34-32-14-5-8-19-40(32)52-46(34)37/h38-58H,1-37H2;34-52H,1-33H2;28-48H,1-27H2
• InChIKey: SGDHXWREZUQIPQ-UHFFFAOYSA-N
• XLogP: 40.86
• TPSA: 55.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2373.00
LogP ≤ 5	40.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine?

The IUPAC name of N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine (CID 165067752) is N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine.

What is the SMILES notation for N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine?

The canonical SMILES for N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine is C1CCC(C2CCC(C3CCC(N(C4CCC(C5CCC(C6CCCCC6)CC5)CC4)C4C5CCCCC5CC5C6CCC7OC8CCCCC8C7C6SC54)CC3)CC2)CC1.C1CCC(C2CCC(N(C3CCC(C4CCCC(C5CCCCC5)C4)CC3)C3CCCC4C5CCC6OC7C8CCCCC8CCC7C6C5SC43)CC2)CC1.C1CCC(C2CCC(N(C3CCC4C(C3)OC3CCCCC34)C3CCCC4C5CCCCC5OC43)C3SC4C(CCC5OC6CCCCC6C54)C23)CC1.

What is the InChIKey of N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine?

The InChIKey is SGDHXWREZUQIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H95NOS.C52H85NOS.C48H75NO3S/c1-3-11-38(12-4-1)40-19-23-42(24-20-40)44-27-31-47(32-28-44)59(48-33-29-45(30-34-48)43-25-21-41(22-26-43)39-13-5-2-6-14-39)56-49-16-8-7-15-46(49)37-52-50-35-36-54-55(57(50)61-58(52)56)51-17-9-10-18-53(51)60-54;1-3-11-34(12-4-1)36-21-26-41(27-22-36)53(42-28-23-37(24-29-42)40-17-9-16-39(33-40)35-13-5-2-6-14-35)47-20-10-19-44-45-31-32-48-49(52(45)55-51(44)47)46-30-25-38-15-7-8-18-43(38)50(46)54-48;1-2-11-28(12-3-1)30-23-25-38(48-44(30)36-24-26-42-45(47(36)53-48)35-15-6-9-20-41(35)50-42)49(29-21-22-33-31-13-4-7-18-39(31)51-43(33)27-29)37-17-10-16-34-32-14-5-8-19-40(32)52-46(34)37/h38-58H,1-37H2;34-52H,1-33H2;28-48H,1-27H2.

What are the key properties of N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine?

N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine has a molecular weight of 2373.00 g/mol, XLogP of 40.86, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-15-cyclohexyl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N,N-bis[4-(4-cyclohexylcyclohexyl)cyclohexyl]-9-oxa-24-thiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosan-22-amine;N-(4-cyclohexylcyclohexyl)-N-[4-(3-cyclohexylcyclohexyl)cyclohexyl]-14-oxa-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosan-5-amine is sourced from PubChem (CID 165067752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).