4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine

C224H364N4S8 — CID 164961461

IUPAC4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine
SMILESC1CCC(C2CCC(N(C3CCC(C4CC5CCCCC5C5CCCCC45)CC3)C3CCC(C4CCCC5C6CCC7SC8CCCCC8C7C6SC45)CC3)CC2)CC1.C1CCC(C2CCC(N(C3CCC(C4CCC5C(CCC6CCCCC65)C4)CC3)C3CCC(C4CCCC5C6CCC7SC8CCCCC8C7C6SC45)CC3)CC2)CC1.C1CCC2C(C1)CCCC2C1CCC(N(C2CCC(C3CCCC4CCCCC43)CC2)C2CCC(C3CCCC4C5CCC6SC7CCCCC7C6C5SC34)CC2)CC1.C1CCC2CC(C3CCC(N(C4CCC(C5CCC6CCCCC6C5)CC4)C4CCC(C5CCCC6C7CCC8SC9CCCCC9C8C7SC56)CC4)CC3)CCC2C1
InChIInChI=1S/4C56H91NS2/c1-3-14-44-36(10-1)12-7-17-46(44)38-22-28-41(29-23-38)57(42-30-24-39(25-31-42)47-18-8-13-37-11-2-4-15-45(37)47)43-32-26-40(27-33-43)48-19-9-20-49-50-34-35-53-54(56(50)59-55(48)49)51-16-5-6-21-52(51)58-53;1-3-10-41-34-43(18-16-36(41)8-1)38-20-26-45(27-21-38)57(46-28-22-39(23-29-46)44-19-17-37-9-2-4-11-42(37)35-44)47-30-24-40(25-31-47)48-13-7-14-49-50-32-33-53-54(56(50)59-55(48)49)51-12-5-6-15-52(51)58-53;1-2-11-36(12-3-1)37-21-27-41(28-22-37)57(43-31-25-39(26-32-43)51-35-40-13-4-5-14-44(40)46-15-6-7-16-47(46)51)42-29-23-38(24-30-42)45-18-10-19-48-49-33-34-53-54(56(49)59-55(45)48)50-17-8-9-20-52(50)58-53;1-2-9-36(10-3-1)37-19-26-43(27-20-37)57(44-28-21-38(22-29-44)41-25-32-47-42(35-41)18-17-39-11-4-5-12-46(39)47)45-30-23-40(24-31-45)48-14-8-15-49-50-33-34-53-54(56(50)59-55(48)49)51-13-6-7-16-52(51)58-53/h4*36-56H,1-35H2
InChIKeyBWZJKOWZIORPAI-UHFFFAOYSA-N
MW3369.94 g/mol
LogP63.11
Rot. Bonds24

About 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine

4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine (PubChem CID 164961461) has the molecular formula C224H364N4S8 and a molecular weight of 3369.94 g/mol. Its IUPAC name is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine
PubChem CID164961461
Molecular FormulaC224H364N4S8
Molecular Weight3369.94 g/mol
Exact Mass3366.64
IUPAC Name4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine
SMILESC1CCC(C2CCC(N(C3CCC(C4CC5CCCCC5C5CCCCC45)CC3)C3CCC(C4CCCC5C6CCC7SC8CCCCC8C7C6SC45)CC3)CC2)CC1.C1CCC(C2CCC(N(C3CCC(C4CCC5C(CCC6CCCCC65)C4)CC3)C3CCC(C4CCCC5C6CCC7SC8CCCCC8C7C6SC45)CC3)CC2)CC1.C1CCC2C(C1)CCCC2C1CCC(N(C2CCC(C3CCCC4CCCCC43)CC2)C2CCC(C3CCCC4C5CCC6SC7CCCCC7C6C5SC34)CC2)CC1.C1CCC2CC(C3CCC(N(C4CCC(C5CCC6CCCCC6C5)CC4)C4CCC(C5CCCC6C7CCC8SC9CCCCC9C8C7SC56)CC4)CC3)CCC2C1
InChIInChI=1S/4C56H91NS2/c1-3-14-44-36(10-1)12-7-17-46(44)38-22-28-41(29-23-38)57(42-30-24-39(25-31-42)47-18-8-13-37-11-2-4-15-45(37)47)43-32-26-40(27-33-43)48-19-9-20-49-50-34-35-53-54(56(50)59-55(48)49)51-16-5-6-21-52(51)58-53;1-3-10-41-34-43(18-16-36(41)8-1)38-20-26-45(27-21-38)57(46-28-22-39(23-29-46)44-19-17-37-9-2-4-11-42(37)35-44)47-30-24-40(25-31-47)48-13-7-14-49-50-32-33-53-54(56(50)59-55(48)49)51-12-5-6-15-52(51)58-53;1-2-11-36(12-3-1)37-21-27-41(28-22-37)57(43-31-25-39(26-32-43)51-35-40-13-4-5-14-44(40)46-15-6-7-16-47(46)51)42-29-23-38(24-30-42)45-18-10-19-48-49-33-34-53-54(56(49)59-55(45)48)50-17-8-9-20-52(50)58-53;1-2-9-36(10-3-1)37-19-26-43(27-20-37)57(44-28-21-38(22-29-44)41-25-32-47-42(35-41)18-17-39-11-4-5-12-46(39)47)45-30-23-40(24-31-45)48-14-8-15-49-50-33-34-53-54(56(50)59-55(48)49)51-13-6-7-16-52(51)58-53/h4*36-56H,1-35H2
InChIKeyBWZJKOWZIORPAI-UHFFFAOYSA-N
XLogP63.11
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003369.94
LogP ≤ 563.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine (CID 164961461) is 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine is C1CCC(C2CCC(N(C3CCC(C4CC5CCCCC5C5CCCCC45)CC3)C3CCC(C4CCCC5C6CCC7SC8CCCCC8C7C6SC45)CC3)CC2)CC1.C1CCC(C2CCC(N(C3CCC(C4CCC5C(CCC6CCCCC65)C4)CC3)C3CCC(C4CCCC5C6CCC7SC8CCCCC8C7C6SC45)CC3)CC2)CC1.C1CCC2C(C1)CCCC2C1CCC(N(C2CCC(C3CCCC4CCCCC43)CC2)C2CCC(C3CCCC4C5CCC6SC7CCCCC7C6C5SC34)CC2)CC1.C1CCC2CC(C3CCC(N(C4CCC(C5CCC6CCCCC6C5)CC4)C4CCC(C5CCCC6C7CCC8SC9CCCCC9C8C7SC56)CC4)CC3)CCC2C1.
What is the InChIKey of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is BWZJKOWZIORPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C56H91NS2/c1-3-14-44-36(10-1)12-7-17-46(44)38-22-28-41(29-23-38)57(42-30-24-39(25-31-42)47-18-8-13-37-11-2-4-15-45(37)47)43-32-26-40(27-33-43)48-19-9-20-49-50-34-35-53-54(56(50)59-55(48)49)51-16-5-6-21-52(51)58-53;1-3-10-41-34-43(18-16-36(41)8-1)38-20-26-45(27-21-38)57(46-28-22-39(23-29-46)44-19-17-37-9-2-4-11-42(37)35-44)47-30-24-40(25-31-47)48-13-7-14-49-50-32-33-53-54(56(50)59-55(48)49)51-12-5-6-15-52(51)58-53;1-2-11-36(12-3-1)37-21-27-41(28-22-37)57(43-31-25-39(26-32-43)51-35-40-13-4-5-14-44(40)46-15-6-7-16-47(46)51)42-29-23-38(24-30-42)45-18-10-19-48-49-33-34-53-54(56(49)59-55(45)48)50-17-8-9-20-52(50)58-53;1-2-9-36(10-3-1)37-19-26-43(27-20-37)57(44-28-21-38(22-29-44)41-25-32-47-42(35-41)18-17-39-11-4-5-12-46(39)47)45-30-23-40(24-31-45)48-14-8-15-49-50-33-34-53-54(56(50)59-55(48)49)51-13-6-7-16-52(51)58-53/h4*36-56H,1-35H2.
What are the key properties of 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine?
4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 3369.94 g/mol, XLogP of 63.11, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine;N-[4-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)cyclohexyl]-4-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 164961461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).