10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine

C262H259F5N8Si2 — CID 159282621

IUPAC10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine
SMILESCC12CCCCC1(C)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1c-3c3ccccc3c3cc(N4c5ccc(F)cc5CC5(C)CCCCC45C)ccc13)c1ccc(F)cc1C2.CC12CCCCC1(C)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1c-3c3ccccc3c3cc(N4c5ccc([Si](C)(C)C)cc5CC5(C)CCCCC45C)ccc13)c1ccc([Si](C)(C)C)cc1C2.Cc1ccc2c(c1)CC1(C)CCCCC1(C)N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c-2c2ccccc2c2cc(N3c4ccc(C(F)(F)F)cc4CC4(C)CCCCC34C)ccc12.Cc1ccc2c(c1)CC1(C)CCCCC1(C)N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c-2c2ccccc2c2cc(N3c4ccc(C)cc4CC4(C)CCCCC34C)ccc12
InChIInChI=1S/C69H76N2Si2.C65H61F3N2.C65H64N2.C63H58F2N2/c1-65-37-19-21-39-67(65,3)70(61-35-31-53(72(5,6)7)41-47(61)45-65)51-29-33-57-59(43-51)55-27-17-18-28-56(55)63-58-34-30-52(44-60(58)69(64(57)63,49-23-13-11-14-24-49)50-25-15-12-16-26-50)71-62-36-32-54(73(8,9)10)42-48(62)46-66(2)38-20-22-40-68(66,71)4;1-42-24-30-56-43(36-42)40-60(2)32-14-17-35-63(60,5)70(56)49-27-29-53-55(39-49)64(45-18-8-6-9-19-45,46-20-10-7-11-21-46)59-52-28-26-48(38-54(52)50-22-12-13-23-51(50)58(53)59)69-57-31-25-47(65(66,67)68)37-44(57)41-61(3)33-15-16-34-62(61,69)4;1-43-25-31-57-45(37-43)41-61(3)33-15-17-35-63(61,5)66(57)49-27-29-53-55(39-49)51-23-13-14-24-52(51)59-54-30-28-50(67-58-32-26-44(2)38-46(58)42-62(4)34-16-18-36-64(62,67)6)40-56(54)65(60(53)59,47-19-9-7-10-20-47)48-21-11-8-12-22-48;1-59-31-13-15-33-61(59,3)66(55-29-23-45(64)35-41(55)39-59)47-25-27-51-53(37-47)49-21-11-12-22-50(49)57-52-28-26-48(67-56-30-24-46(65)36-42(56)40-60(2)32-14-16-34-62(60,67)4)38-54(52)63(58(51)57,43-17-7-5-8-18-43)44-19-9-6-10-20-44/h11-18,23-36,41-44H,19-22,37-40,45-46H2,1-10H3;6-13,18-31,36-39H,14-17,32-35,40-41H2,1-5H3;7-14,19-32,37-40H,15-18,33-36,41-42H2,1-6H3;5-12,17-30,35-38H,13-16,31-34,39-40H2,1-4H3
InChIKeyKZCNXQJWMLVXJM-UHFFFAOYSA-N
MW3671.17 g/mol
LogP69.00
Rot. Bonds18

About 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine

10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine (PubChem CID 159282621) has the molecular formula C262H259F5N8Si2 and a molecular weight of 3671.17 g/mol. Its IUPAC name is 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine.

Molecular Properties

Compound Name10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine
PubChem CID159282621
Molecular FormulaC262H259F5N8Si2
Molecular Weight3671.17 g/mol
Exact Mass3668.00
IUPAC Name10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine
SMILESCC12CCCCC1(C)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1c-3c3ccccc3c3cc(N4c5ccc(F)cc5CC5(C)CCCCC45C)ccc13)c1ccc(F)cc1C2.CC12CCCCC1(C)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1c-3c3ccccc3c3cc(N4c5ccc([Si](C)(C)C)cc5CC5(C)CCCCC45C)ccc13)c1ccc([Si](C)(C)C)cc1C2.Cc1ccc2c(c1)CC1(C)CCCCC1(C)N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c-2c2ccccc2c2cc(N3c4ccc(C(F)(F)F)cc4CC4(C)CCCCC34C)ccc12.Cc1ccc2c(c1)CC1(C)CCCCC1(C)N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c-2c2ccccc2c2cc(N3c4ccc(C)cc4CC4(C)CCCCC34C)ccc12
InChIInChI=1S/C69H76N2Si2.C65H61F3N2.C65H64N2.C63H58F2N2/c1-65-37-19-21-39-67(65,3)70(61-35-31-53(72(5,6)7)41-47(61)45-65)51-29-33-57-59(43-51)55-27-17-18-28-56(55)63-58-34-30-52(44-60(58)69(64(57)63,49-23-13-11-14-24-49)50-25-15-12-16-26-50)71-62-36-32-54(73(8,9)10)42-48(62)46-66(2)38-20-22-40-68(66,71)4;1-42-24-30-56-43(36-42)40-60(2)32-14-17-35-63(60,5)70(56)49-27-29-53-55(39-49)64(45-18-8-6-9-19-45,46-20-10-7-11-21-46)59-52-28-26-48(38-54(52)50-22-12-13-23-51(50)58(53)59)69-57-31-25-47(65(66,67)68)37-44(57)41-61(3)33-15-16-34-62(61,69)4;1-43-25-31-57-45(37-43)41-61(3)33-15-17-35-63(61,5)66(57)49-27-29-53-55(39-49)51-23-13-14-24-52(51)59-54-30-28-50(67-58-32-26-44(2)38-46(58)42-62(4)34-16-18-36-64(62,67)6)40-56(54)65(60(53)59,47-19-9-7-10-20-47)48-21-11-8-12-22-48;1-59-31-13-15-33-61(59,3)66(55-29-23-45(64)35-41(55)39-59)47-25-27-51-53(37-47)49-21-11-12-22-50(49)57-52-28-26-48(67-56-30-24-46(65)36-42(56)40-60(2)32-14-16-34-62(60,67)4)38-54(52)63(58(51)57,43-17-7-5-8-18-43)44-19-9-6-10-20-44/h11-18,23-36,41-44H,19-22,37-40,45-46H2,1-10H3;6-13,18-31,36-39H,14-17,32-35,40-41H2,1-5H3;7-14,19-32,37-40H,15-18,33-36,41-42H2,1-6H3;5-12,17-30,35-38H,13-16,31-34,39-40H2,1-4H3
InChIKeyKZCNXQJWMLVXJM-UHFFFAOYSA-N
XLogP69.00
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms277
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003671.17
LogP ≤ 569.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?
The IUPAC name of 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine (CID 159282621) is 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine.
What is the SMILES notation for 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?
The canonical SMILES for 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine is CC12CCCCC1(C)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1c-3c3ccccc3c3cc(N4c5ccc(F)cc5CC5(C)CCCCC45C)ccc13)c1ccc(F)cc1C2.CC12CCCCC1(C)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1c-3c3ccccc3c3cc(N4c5ccc([Si](C)(C)C)cc5CC5(C)CCCCC45C)ccc13)c1ccc([Si](C)(C)C)cc1C2.Cc1ccc2c(c1)CC1(C)CCCCC1(C)N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c-2c2ccccc2c2cc(N3c4ccc(C(F)(F)F)cc4CC4(C)CCCCC34C)ccc12.Cc1ccc2c(c1)CC1(C)CCCCC1(C)N2c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c-2c2ccccc2c2cc(N3c4ccc(C)cc4CC4(C)CCCCC34C)ccc12.
What is the InChIKey of 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?
The InChIKey is KZCNXQJWMLVXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H76N2Si2.C65H61F3N2.C65H64N2.C63H58F2N2/c1-65-37-19-21-39-67(65,3)70(61-35-31-53(72(5,6)7)41-47(61)45-65)51-29-33-57-59(43-51)55-27-17-18-28-56(55)63-58-34-30-52(44-60(58)69(64(57)63,49-23-13-11-14-24-49)50-25-15-12-16-26-50)71-62-36-32-54(73(8,9)10)42-48(62)46-66(2)38-20-22-40-68(66,71)4;1-42-24-30-56-43(36-42)40-60(2)32-14-17-35-63(60,5)70(56)49-27-29-53-55(39-49)64(45-18-8-6-9-19-45,46-20-10-7-11-21-46)59-52-28-26-48(38-54(52)50-22-12-13-23-51(50)58(53)59)69-57-31-25-47(65(66,67)68)37-44(57)41-61(3)33-15-16-34-62(61,69)4;1-43-25-31-57-45(37-43)41-61(3)33-15-17-35-63(61,5)66(57)49-27-29-53-55(39-49)51-23-13-14-24-52(51)59-54-30-28-50(67-58-32-26-44(2)38-46(58)42-62(4)34-16-18-36-64(62,67)6)40-56(54)65(60(53)59,47-19-9-7-10-20-47)48-21-11-8-12-22-48;1-59-31-13-15-33-61(59,3)66(55-29-23-45(64)35-41(55)39-59)47-25-27-51-53(37-47)49-21-11-12-22-50(49)57-52-28-26-48(67-56-30-24-46(65)36-42(56)40-60(2)32-14-16-34-62(60,67)4)38-54(52)63(58(51)57,43-17-7-5-8-18-43)44-19-9-6-10-20-44/h11-18,23-36,41-44H,19-22,37-40,45-46H2,1-10H3;6-13,18-31,36-39H,14-17,32-35,40-41H2,1-5H3;7-14,19-32,37-40H,15-18,33-36,41-42H2,1-6H3;5-12,17-30,35-38H,13-16,31-34,39-40H2,1-4H3.
What are the key properties of 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?
10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine has a molecular weight of 3671.17 g/mol, XLogP of 69.00, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-[4a,9a-dimethyl-7-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-acridin-10-yl]-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;[10-[5-(4a,9a-dimethyl-7-trimethylsilyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-8a,10a-dimethyl-6,7,8,9-tetrahydro-5H-acridin-2-yl]-trimethylsilane;10-[5-(4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,7,9a-trimethyl-2,3,4,9-tetrahydro-1H-acridine;7-fluoro-10-[5-(7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridin-10-yl)-21,21-diphenyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaenyl]-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine is sourced from PubChem (CID 159282621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).