N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine

C192H306N4O2S10 — CID 164981956

About N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine

N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 164981956) has the molecular formula C192H306N4O2S10 and a molecular weight of 3023.26 g/mol. Its IUPAC name is N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 164981956
• Molecular Formula: C192H306N4O2S10
• Molecular Weight: 3023.26 g/mol
• Exact Mass: 3020.12
• IUPAC Name: N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine
• SMILES: C1CCC(C2CCC(N(C3CCCC4C5CCC6SC7CCCCC7C6C5SC43)C3CCCC4OC5C6CCCCC6CCC5C43)CC2)CC1.C1CCC(C2CCC(N(C3CCCC4C5CCCC(C6CCCCC6)C5OC43)C3CCCC4C5CCC6SC7CCCCC7C6C5SC43)CC2)CC1.C1CCC(C2CCC(N(C3CCCC4C5CCCC(C6CCCCC6)C5SC43)C3CCCC4C5CCC6SC7CCCCC7C6C5SC43)CC2)CC1.C1CCC2CC(C3CCC(N(C4CCCC5C6CC7CCCCC7CC6SC54)C4CCCC5C6CCC7SC8CCCCC8C7C6SC54)CC3)CCC2C1
• InChI: InChI=1S/C50H79NS3.C48H77NOS2.C48H77NS3.C46H73NOS2/c1-2-10-32-27-35(20-19-30(32)9-1)31-21-23-36(24-22-31)51(42-16-8-15-38-41-28-33-11-3-4-12-34(33)29-46(41)53-48(38)42)43-17-7-14-37-39-25-26-45-47(50(39)54-49(37)43)40-13-5-6-18-44(40)52-45;1-3-12-30(13-4-1)31-24-26-33(27-25-31)49(40-21-10-19-36-35-18-9-17-34(45(35)50-46(36)40)32-14-5-2-6-15-32)41-22-11-20-37-38-28-29-43-44(48(38)52-47(37)41)39-16-7-8-23-42(39)51-43;1-3-12-30(13-4-1)31-24-26-33(27-25-31)49(40-21-10-19-36-35-18-9-17-34(45(35)51-46(36)40)32-14-5-2-6-15-32)41-22-11-20-37-38-28-29-43-44(48(38)52-47(37)41)39-16-7-8-23-42(39)50-43;1-2-10-28(11-3-1)29-20-23-31(24-21-29)47(37-16-9-18-39-42(37)36-25-22-30-12-4-5-13-32(30)44(36)48-39)38-17-8-15-33-34-26-27-41-43(46(34)50-45(33)38)35-14-6-7-19-40(35)49-41/h30-50H,1-29H2;2*30-48H,1-29H2;28-46H,1-27H2
• InChIKey: FPUQOBZRAMKQJB-UHFFFAOYSA-N
• XLogP: 51.75
• TPSA: 31.42 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3023.26
LogP ≤ 5	51.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine (CID 164981956) is N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine is C1CCC(C2CCC(N(C3CCCC4C5CCC6SC7CCCCC7C6C5SC43)C3CCCC4OC5C6CCCCC6CCC5C43)CC2)CC1.C1CCC(C2CCC(N(C3CCCC4C5CCCC(C6CCCCC6)C5OC43)C3CCCC4C5CCC6SC7CCCCC7C6C5SC43)CC2)CC1.C1CCC(C2CCC(N(C3CCCC4C5CCCC(C6CCCCC6)C5SC43)C3CCCC4C5CCC6SC7CCCCC7C6C5SC43)CC2)CC1.C1CCC2CC(C3CCC(N(C4CCCC5C6CC7CCCCC7CC6SC54)C4CCCC5C6CCC7SC8CCCCC8C7C6SC54)CC3)CCC2C1.

What is the InChIKey of N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine?

The InChIKey is FPUQOBZRAMKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H79NS3.C48H77NOS2.C48H77NS3.C46H73NOS2/c1-2-10-32-27-35(20-19-30(32)9-1)31-21-23-36(24-22-31)51(42-16-8-15-38-41-28-33-11-3-4-12-34(33)29-46(41)53-48(38)42)43-17-7-14-37-39-25-26-45-47(50(39)54-49(37)43)40-13-5-6-18-44(40)52-45;1-3-12-30(13-4-1)31-24-26-33(27-25-31)49(40-21-10-19-36-35-18-9-17-34(45(35)50-46(36)40)32-14-5-2-6-15-32)41-22-11-20-37-38-28-29-43-44(48(38)52-47(37)41)39-16-7-8-23-42(39)51-43;1-3-12-30(13-4-1)31-24-26-33(27-25-31)49(40-21-10-19-36-35-18-9-17-34(45(35)51-46(36)40)32-14-5-2-6-15-32)41-22-11-20-37-38-28-29-43-44(48(38)52-47(37)41)39-16-7-8-23-42(39)50-43;1-2-10-28(11-3-1)29-20-23-31(24-21-29)47(37-16-9-18-39-42(37)36-25-22-30-12-4-5-13-32(30)44(36)48-39)38-17-8-15-33-34-26-27-41-43(46(34)50-45(33)38)35-14-6-7-19-40(35)49-41/h30-50H,1-29H2;2*30-48H,1-29H2;28-46H,1-27H2.

What are the key properties of N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine?

N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 3023.26 g/mol, XLogP of 51.75, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-(17-thiatetracyclo[8.7.0.03,8.011,16]heptadecan-15-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(6-cyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzothiophen-4-yl)-N-(4-cyclohexylcyclohexyl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;6-cyclohexyl-N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-amine;N-(4-cyclohexylcyclohexyl)-N-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 164981956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).