N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine

C184H296N4O7S4 — CID 164961715

IUPACN-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
SMILESC1CCC(C2CCC(N(C3CCC4OC5CCCCC5C4C3)C3CCCC4C5CCC6SC7CCCCC7C6C5OC43)CC2)CC1.C1CCC2C(C1)CCCC2C1CCC(N(C2CCC3C(C2)OC2CCCCC23)C2CCCC3C4CCC5SC6CCCCC6C5C4OC32)CC1.C1CCC2CC(C3CCC(N(C4CCCC5C6CCCCC6OC54)C4CCCC5C6CCC7SC8CCCCC8C7C6OC54)CC3)CCC2C1.CC(C)(C)C1CCC(N(C2CCC(C3CCCCC3)CC2)C2CCC(C3CCCCC3)C3CCCCC32)C2OC3C(CCC4SC5CCCCC5C43)C21
InChIInChI=1S/C50H83NOS.2C46H73NO2S.C42H67NO2S/c1-50(2,3)41-28-30-43(49-46(41)40-27-31-45-47(48(40)52-49)39-20-12-13-21-44(39)53-45)51(35-24-22-33(23-25-35)32-14-6-4-7-15-32)42-29-26-36(34-16-8-5-9-17-34)37-18-10-11-19-38(37)42;1-2-11-32-28(9-1)10-7-14-33(32)29-19-21-30(22-20-29)47(31-23-24-35-34-12-3-5-17-40(34)48-41(35)27-31)39-16-8-15-36-37-25-26-43-44(46(37)49-45(36)39)38-13-4-6-18-42(38)50-43;1-2-10-30-27-31(20-19-28(30)9-1)29-21-23-32(24-22-29)47(38-15-7-13-34-33-11-3-5-17-40(33)48-44(34)38)39-16-8-14-35-36-25-26-42-43(46(36)49-45(35)39)37-12-4-6-18-41(37)50-42;1-2-9-26(10-3-1)27-17-19-28(20-18-27)43(29-21-23-37-34(25-29)30-11-4-6-15-36(30)44-37)35-14-8-13-31-32-22-24-39-40(42(32)45-41(31)35)33-12-5-7-16-38(33)46-39/h32-49H,4-31H2,1-3H3;2*28-46H,1-27H2;26-42H,1-25H2
InChIKeyBXVTVVFCIBWJGD-UHFFFAOYSA-N
MW2804.68 g/mol
LogP46.12
Rot. Bonds17

About N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine

N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine (PubChem CID 164961715) has the molecular formula C184H296N4O7S4 and a molecular weight of 2804.68 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
PubChem CID164961715
Molecular FormulaC184H296N4O7S4
Molecular Weight2804.68 g/mol
Exact Mass2802.18
IUPAC NameN-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
SMILESC1CCC(C2CCC(N(C3CCC4OC5CCCCC5C4C3)C3CCCC4C5CCC6SC7CCCCC7C6C5OC43)CC2)CC1.C1CCC2C(C1)CCCC2C1CCC(N(C2CCC3C(C2)OC2CCCCC23)C2CCCC3C4CCC5SC6CCCCC6C5C4OC32)CC1.C1CCC2CC(C3CCC(N(C4CCCC5C6CCCCC6OC54)C4CCCC5C6CCC7SC8CCCCC8C7C6OC54)CC3)CCC2C1.CC(C)(C)C1CCC(N(C2CCC(C3CCCCC3)CC2)C2CCC(C3CCCCC3)C3CCCCC32)C2OC3C(CCC4SC5CCCCC5C43)C21
InChIInChI=1S/C50H83NOS.2C46H73NO2S.C42H67NO2S/c1-50(2,3)41-28-30-43(49-46(41)40-27-31-45-47(48(40)52-49)39-20-12-13-21-44(39)53-45)51(35-24-22-33(23-25-35)32-14-6-4-7-15-32)42-29-26-36(34-16-8-5-9-17-34)37-18-10-11-19-38(37)42;1-2-11-32-28(9-1)10-7-14-33(32)29-19-21-30(22-20-29)47(31-23-24-35-34-12-3-5-17-40(34)48-41(35)27-31)39-16-8-15-36-37-25-26-43-44(46(37)49-45(36)39)38-13-4-6-18-42(38)50-43;1-2-10-30-27-31(20-19-28(30)9-1)29-21-23-32(24-22-29)47(38-15-7-13-34-33-11-3-5-17-40(33)48-44(34)38)39-16-8-14-35-36-25-26-42-43(46(36)49-45(35)39)37-12-4-6-18-41(37)50-42;1-2-9-26(10-3-1)27-17-19-28(20-18-27)43(29-21-23-37-34(25-29)30-11-4-6-15-36(30)44-37)35-14-8-13-31-32-22-24-39-40(42(32)45-41(31)35)33-12-5-7-16-38(33)46-39/h32-49H,4-31H2,1-3H3;2*28-46H,1-27H2;26-42H,1-25H2
InChIKeyBXVTVVFCIBWJGD-UHFFFAOYSA-N
XLogP46.12
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002804.68
LogP ≤ 546.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine with MolForge

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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-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?
The IUPAC name of N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine (CID 164961715) is N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine.
What is the SMILES notation for N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?
The canonical SMILES for N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine is C1CCC(C2CCC(N(C3CCC4OC5CCCCC5C4C3)C3CCCC4C5CCC6SC7CCCCC7C6C5OC43)CC2)CC1.C1CCC2C(C1)CCCC2C1CCC(N(C2CCC3C(C2)OC2CCCCC23)C2CCCC3C4CCC5SC6CCCCC6C5C4OC32)CC1.C1CCC2CC(C3CCC(N(C4CCCC5C6CCCCC6OC54)C4CCCC5C6CCC7SC8CCCCC8C7C6OC54)CC3)CCC2C1.CC(C)(C)C1CCC(N(C2CCC(C3CCCCC3)CC2)C2CCC(C3CCCCC3)C3CCCCC32)C2OC3C(CCC4SC5CCCCC5C43)C21.
What is the InChIKey of N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?
The InChIKey is BXVTVVFCIBWJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H83NOS.2C46H73NO2S.C42H67NO2S/c1-50(2,3)41-28-30-43(49-46(41)40-27-31-45-47(48(40)52-49)39-20-12-13-21-44(39)53-45)51(35-24-22-33(23-25-35)32-14-6-4-7-15-32)42-29-26-36(34-16-8-5-9-17-34)37-18-10-11-19-38(37)42;1-2-11-32-28(9-1)10-7-14-33(32)29-19-21-30(22-20-29)47(31-23-24-35-34-12-3-5-17-40(34)48-41(35)27-31)39-16-8-15-36-37-25-26-43-44(46(37)49-45(36)39)38-13-4-6-18-42(38)50-43;1-2-10-30-27-31(20-19-28(30)9-1)29-21-23-32(24-22-29)47(38-15-7-13-34-33-11-3-5-17-40(33)48-44(34)38)39-16-8-14-35-36-25-26-42-43(46(36)49-45(35)39)37-12-4-6-18-41(37)50-42;1-2-9-26(10-3-1)27-17-19-28(20-18-27)43(29-21-23-37-34(25-29)30-11-4-6-15-36(30)44-37)35-14-8-13-31-32-22-24-39-40(42(32)45-41(31)35)33-12-5-7-16-38(33)46-39/h32-49H,4-31H2,1-3H3;2*28-46H,1-27H2;26-42H,1-25H2.
What are the key properties of N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine?
N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine has a molecular weight of 2804.68 g/mol, XLogP of 46.12, 17 rotatable bonds, 0 hydrogen bond donors, and 15 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-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-yl)-N-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;N-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-2-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine;15-tert-butyl-N-(4-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-N-(4-cyclohexylcyclohexyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine is sourced from PubChem (CID 164961715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).