4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine

C225H213N5O13 — CID 158196073

IUPAC4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine
SMILESC1=CC(c2ccccc2)(c2ccc(N3CCCCC3)cc2)Oc2c1c1c(c3ccccc23)-c2ccccc2C12C1CC3CC(C1)CC2C3.C1=CC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)Oc2c1c1c(c3ccccc23)-c2ccccc2C12CC1CCC2C1.COc1ccc2c(c1)C1(CC3CCC1C3)c1c3c(c4cc(OC)ccc4c1-2)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3.COc1ccc2c(c1)C1(c3c4c(c5cc(OC)ccc5c3-2)OC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)C=C4)C2CCCC1CCC2.Cc1ccc2c(c1)C1(CC3CCC1(C)C3(C)C)c1c3c(c4cc(C)ccc4c1-2)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3
InChIInChI=1S/C47H47NO2.C46H45NO4.C46H43NO.C44H41NO4.C42H37NO2/c1-30-11-17-36-39(27-30)43-38(42-41(36)37-18-12-31(2)28-40(37)46(42)29-34-19-21-45(46,5)44(34,3)4)20-22-47(50-43,32-9-7-6-8-10-32)33-13-15-35(16-14-33)48-23-25-49-26-24-48;1-48-35-18-20-37-40(28-35)44-39(43-42(37)38-21-19-36(49-2)29-41(38)46(43)32-10-6-11-33(46)13-7-12-32)22-23-45(51-44,30-8-4-3-5-9-30)31-14-16-34(17-15-31)47-24-26-50-27-25-47;1-3-11-32(12-4-1)45(33-17-19-36(20-18-33)47-23-9-2-10-24-47)22-21-40-43-42(37-13-5-6-14-38(37)44(40)48-45)39-15-7-8-16-41(39)46(43)34-26-30-25-31(28-34)29-35(46)27-30;1-46-33-14-16-35-38(25-33)42-37(41-40(35)36-17-15-34(47-2)26-39(36)43(41)27-28-8-9-31(43)24-28)18-19-44(49-42,29-6-4-3-5-7-29)30-10-12-32(13-11-30)45-20-22-48-23-21-45;1-2-8-29(9-3-1)42(30-16-18-32(19-17-30)43-22-24-44-25-23-43)21-20-36-39-38(33-10-4-5-11-34(33)40(36)45-42)35-12-6-7-13-37(35)41(39)27-28-14-15-31(41)26-28/h6-18,20,22,27-28,34H,19,21,23-26,29H2,1-5H3;3-5,8-9,14-23,28-29,32-33H,6-7,10-13,24-27H2,1-2H3;1,3-8,11-22,30-31,34-35H,2,9-10,23-29H2;3-7,10-19,25-26,28,31H,8-9,20-24,27H2,1-2H3;1-13,16-21,28,31H,14-15,22-27H2
InChIKeyGAIUUHXSVVZEGI-UHFFFAOYSA-N
MW3195.20 g/mol
LogP49.81
Rot. Bonds19

About 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine

4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine (PubChem CID 158196073) has the molecular formula C225H213N5O13 and a molecular weight of 3195.20 g/mol. Its IUPAC name is 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine
PubChem CID158196073
Molecular FormulaC225H213N5O13
Molecular Weight3195.20 g/mol
Exact Mass3192.62
IUPAC Name4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine
SMILESC1=CC(c2ccccc2)(c2ccc(N3CCCCC3)cc2)Oc2c1c1c(c3ccccc23)-c2ccccc2C12C1CC3CC(C1)CC2C3.C1=CC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)Oc2c1c1c(c3ccccc23)-c2ccccc2C12CC1CCC2C1.COc1ccc2c(c1)C1(CC3CCC1C3)c1c3c(c4cc(OC)ccc4c1-2)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3.COc1ccc2c(c1)C1(c3c4c(c5cc(OC)ccc5c3-2)OC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)C=C4)C2CCCC1CCC2.Cc1ccc2c(c1)C1(CC3CCC1(C)C3(C)C)c1c3c(c4cc(C)ccc4c1-2)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3
InChIInChI=1S/C47H47NO2.C46H45NO4.C46H43NO.C44H41NO4.C42H37NO2/c1-30-11-17-36-39(27-30)43-38(42-41(36)37-18-12-31(2)28-40(37)46(42)29-34-19-21-45(46,5)44(34,3)4)20-22-47(50-43,32-9-7-6-8-10-32)33-13-15-35(16-14-33)48-23-25-49-26-24-48;1-48-35-18-20-37-40(28-35)44-39(43-42(37)38-21-19-36(49-2)29-41(38)46(43)32-10-6-11-33(46)13-7-12-32)22-23-45(51-44,30-8-4-3-5-9-30)31-14-16-34(17-15-31)47-24-26-50-27-25-47;1-3-11-32(12-4-1)45(33-17-19-36(20-18-33)47-23-9-2-10-24-47)22-21-40-43-42(37-13-5-6-14-38(37)44(40)48-45)39-15-7-8-16-41(39)46(43)34-26-30-25-31(28-34)29-35(46)27-30;1-46-33-14-16-35-38(25-33)42-37(41-40(35)36-17-15-34(47-2)26-39(36)43(41)27-28-8-9-31(43)24-28)18-19-44(49-42,29-6-4-3-5-7-29)30-10-12-32(13-11-30)45-20-22-48-23-21-45;1-2-8-29(9-3-1)42(30-16-18-32(19-17-30)43-22-24-44-25-23-43)21-20-36-39-38(33-10-4-5-11-34(33)40(36)45-42)35-12-6-7-13-37(35)41(39)27-28-14-15-31(41)26-28/h6-18,20,22,27-28,34H,19,21,23-26,29H2,1-5H3;3-5,8-9,14-23,28-29,32-33H,6-7,10-13,24-27H2,1-2H3;1,3-8,11-22,30-31,34-35H,2,9-10,23-29H2;3-7,10-19,25-26,28,31H,8-9,20-24,27H2,1-2H3;1-13,16-21,28,31H,14-15,22-27H2
InChIKeyGAIUUHXSVVZEGI-UHFFFAOYSA-N
XLogP49.81
TPSA136.19 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms243
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003195.20
LogP ≤ 549.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine (CID 158196073) is 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine is C1=CC(c2ccccc2)(c2ccc(N3CCCCC3)cc2)Oc2c1c1c(c3ccccc23)-c2ccccc2C12C1CC3CC(C1)CC2C3.C1=CC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)Oc2c1c1c(c3ccccc23)-c2ccccc2C12CC1CCC2C1.COc1ccc2c(c1)C1(CC3CCC1C3)c1c3c(c4cc(OC)ccc4c1-2)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3.COc1ccc2c(c1)C1(c3c4c(c5cc(OC)ccc5c3-2)OC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)C=C4)C2CCCC1CCC2.Cc1ccc2c(c1)C1(CC3CCC1(C)C3(C)C)c1c3c(c4cc(C)ccc4c1-2)OC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)C=C3.
What is the InChIKey of 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine?
The InChIKey is GAIUUHXSVVZEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H47NO2.C46H45NO4.C46H43NO.C44H41NO4.C42H37NO2/c1-30-11-17-36-39(27-30)43-38(42-41(36)37-18-12-31(2)28-40(37)46(42)29-34-19-21-45(46,5)44(34,3)4)20-22-47(50-43,32-9-7-6-8-10-32)33-13-15-35(16-14-33)48-23-25-49-26-24-48;1-48-35-18-20-37-40(28-35)44-39(43-42(37)38-21-19-36(49-2)29-41(38)46(43)32-10-6-11-33(46)13-7-12-32)22-23-45(51-44,30-8-4-3-5-9-30)31-14-16-34(17-15-31)47-24-26-50-27-25-47;1-3-11-32(12-4-1)45(33-17-19-36(20-18-33)47-23-9-2-10-24-47)22-21-40-43-42(37-13-5-6-14-38(37)44(40)48-45)39-15-7-8-16-41(39)46(43)34-26-30-25-31(28-34)29-35(46)27-30;1-46-33-14-16-35-38(25-33)42-37(41-40(35)36-17-15-34(47-2)26-39(36)43(41)27-28-8-9-31(43)24-28)18-19-44(49-42,29-6-4-3-5-7-29)30-10-12-32(13-11-30)45-20-22-48-23-21-45;1-2-8-29(9-3-1)42(30-16-18-32(19-17-30)43-22-24-44-25-23-43)21-20-36-39-38(33-10-4-5-11-34(33)40(36)45-42)35-12-6-7-13-37(35)41(39)27-28-14-15-31(41)26-28/h6-18,20,22,27-28,34H,19,21,23-26,29H2,1-5H3;3-5,8-9,14-23,28-29,32-33H,6-7,10-13,24-27H2,1-2H3;1,3-8,11-22,30-31,34-35H,2,9-10,23-29H2;3-7,10-19,25-26,28,31H,8-9,20-24,27H2,1-2H3;1-13,16-21,28,31H,14-15,22-27H2.
What are the key properties of 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine?
4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine has a molecular weight of 3195.20 g/mol, XLogP of 49.81, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;4-[4-(10,18-dimethoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,9'-bicyclo[3.3.1]nonane]-5-yl)phenyl]morpholine;4-[4-(1',7',7',10,18-pentamethyl-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine;1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-adamantane]-5-yl)phenyl]piperidine;4-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,2'-bicyclo[2.2.1]heptane]-5-yl)phenyl]morpholine is sourced from PubChem (CID 158196073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).