9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene

C378H212 — CID 158568579

IUPAC9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene
SMILESc1ccc(-c2ccc3c4c(-c5ccccc5)c5c(-c6ccccc6)ccc6c5c(c5cccc7c(-c8ccccc8)c8c9cccc%10cccc(c%109)c8c6c75)c4c4ccc(-c5ccccc5)c2c34)cc1.c1ccc(-c2ccc3c4c(-c5ccccc5)c5c(-c6ccccc6)ccc6c5c(c5cccc7c(-c8ccccc8)c8c9cccc%10cccc(c%109)c8c6c75)c4c4cccc2c34)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7cccc8cccc(c87)c6c4c53)c3c4ccc(-c5ccccc5)c5c(-c6ccccc6)ccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7cccc8cccc(c87)c6c4c53)c3c4cccc5c(-c6ccccc6)ccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7cccc8cccc(c87)c6c4c53)c3c4cccc5cccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5cc6c7cccc8cccc(c87)c6c4c53)c3c4cccc5cccc(c23)c54)cc1
InChIInChI=1S/2C70H40.2C64H36.C58H32.C52H28/c1-6-19-41(20-7-1)47-35-38-54-61-55(39-36-48(60(47)61)42-21-8-2-9-22-42)69-65(54)59(46-27-14-5-15-28-46)63-49(43-23-10-3-11-24-43)37-40-56-66-62-52(33-18-34-53(62)68(69)70(56)63)58(45-25-12-4-13-26-45)64-50-31-16-29-44-30-17-32-51(57(44)50)67(64)66;1-5-19-41(20-6-1)46-29-13-14-30-49(46)61-53-34-18-36-55-64(53)67(70-57-40-38-48(43-23-9-3-10-24-43)60-47(42-21-7-2-8-22-42)37-39-56(62(57)60)68(61)70)54-35-17-33-52-59(45-25-11-4-12-26-45)65-50-31-15-27-44-28-16-32-51(58(44)50)69(65)66(55)63(52)54;1-5-17-37(18-6-1)42-33-35-50-55-44(42)27-15-31-48(55)62-59(50)54(41-23-11-4-12-24-41)57-43(38-19-7-2-8-20-38)34-36-51-60-56-47(30-16-32-49(56)63(62)64(51)57)53(40-21-9-3-10-22-40)58-45-28-13-25-39-26-14-29-46(52(39)45)61(58)60;1-4-17-37(18-5-1)41-25-10-11-26-44(41)56-49-32-16-34-51-58(49)61(64-48-31-14-27-43-42(38-19-6-2-7-20-38)35-36-52(55(43)48)62(56)64)50-33-15-30-47-54(40-21-8-3-9-22-40)59-45-28-12-23-39-24-13-29-46(53(39)45)63(59)60(51)57(47)50;1-3-15-33(16-4-1)37-23-7-8-24-38(37)50-44-30-14-32-46-52(44)56(58-42-28-12-22-35-20-10-26-40(48(35)42)54(50)58)45-31-13-29-43-49(36-17-5-2-6-18-36)53-39-25-9-19-34-21-11-27-41(47(34)39)57(53)55(46)51(43)45;1-2-12-29(13-3-1)33-19-4-5-20-34(33)46-40-26-11-27-41-47(40)51(52-38-24-9-17-31-16-8-23-37(44(31)38)50(46)52)39-25-10-18-32-28-42-35-21-6-14-30-15-7-22-36(43(30)35)48(42)49(41)45(32)39/h2*1-40H;2*1-36H;1-32H;1-28H
InChIKeyHRUHQHIKZDTYSY-UHFFFAOYSA-N
MW4753.85 g/mol
LogP107.53
Rot. Bonds23

About 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene

9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene (PubChem CID 158568579) has the molecular formula C378H212 and a molecular weight of 4753.85 g/mol. Its IUPAC name is 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene.

Molecular Properties

Compound Name9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene
PubChem CID158568579
Molecular FormulaC378H212
Molecular Weight4753.85 g/mol
Exact Mass4749.66
IUPAC Name9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene
SMILESc1ccc(-c2ccc3c4c(-c5ccccc5)c5c(-c6ccccc6)ccc6c5c(c5cccc7c(-c8ccccc8)c8c9cccc%10cccc(c%109)c8c6c75)c4c4ccc(-c5ccccc5)c2c34)cc1.c1ccc(-c2ccc3c4c(-c5ccccc5)c5c(-c6ccccc6)ccc6c5c(c5cccc7c(-c8ccccc8)c8c9cccc%10cccc(c%109)c8c6c75)c4c4cccc2c34)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7cccc8cccc(c87)c6c4c53)c3c4ccc(-c5ccccc5)c5c(-c6ccccc6)ccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7cccc8cccc(c87)c6c4c53)c3c4cccc5c(-c6ccccc6)ccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7cccc8cccc(c87)c6c4c53)c3c4cccc5cccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5cc6c7cccc8cccc(c87)c6c4c53)c3c4cccc5cccc(c23)c54)cc1
InChIInChI=1S/2C70H40.2C64H36.C58H32.C52H28/c1-6-19-41(20-7-1)47-35-38-54-61-55(39-36-48(60(47)61)42-21-8-2-9-22-42)69-65(54)59(46-27-14-5-15-28-46)63-49(43-23-10-3-11-24-43)37-40-56-66-62-52(33-18-34-53(62)68(69)70(56)63)58(45-25-12-4-13-26-45)64-50-31-16-29-44-30-17-32-51(57(44)50)67(64)66;1-5-19-41(20-6-1)46-29-13-14-30-49(46)61-53-34-18-36-55-64(53)67(70-57-40-38-48(43-23-9-3-10-24-43)60-47(42-21-7-2-8-22-42)37-39-56(62(57)60)68(61)70)54-35-17-33-52-59(45-25-11-4-12-26-45)65-50-31-15-27-44-28-16-32-51(58(44)50)69(65)66(55)63(52)54;1-5-17-37(18-6-1)42-33-35-50-55-44(42)27-15-31-48(55)62-59(50)54(41-23-11-4-12-24-41)57-43(38-19-7-2-8-20-38)34-36-51-60-56-47(30-16-32-49(56)63(62)64(51)57)53(40-21-9-3-10-22-40)58-45-28-13-25-39-26-14-29-46(52(39)45)61(58)60;1-4-17-37(18-5-1)41-25-10-11-26-44(41)56-49-32-16-34-51-58(49)61(64-48-31-14-27-43-42(38-19-6-2-7-20-38)35-36-52(55(43)48)62(56)64)50-33-15-30-47-54(40-21-8-3-9-22-40)59-45-28-12-23-39-24-13-29-46(53(39)45)63(59)60(51)57(47)50;1-3-15-33(16-4-1)37-23-7-8-24-38(37)50-44-30-14-32-46-52(44)56(58-42-28-12-22-35-20-10-26-40(48(35)42)54(50)58)45-31-13-29-43-49(36-17-5-2-6-18-36)53-39-25-9-19-34-21-11-27-41(47(34)39)57(53)55(46)51(43)45;1-2-12-29(13-3-1)33-19-4-5-20-34(33)46-40-26-11-27-41-47(40)51(52-38-24-9-17-31-16-8-23-37(44(31)38)50(46)52)39-25-10-18-32-28-42-35-21-6-14-30-15-7-22-36(43(30)35)48(42)49(41)45(32)39/h2*1-40H;2*1-36H;1-32H;1-28H
InChIKeyHRUHQHIKZDTYSY-UHFFFAOYSA-N
XLogP107.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms378
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004753.85
LogP ≤ 5107.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene with MolForge

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What is the IUPAC name of 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene?
The IUPAC name of 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene (CID 158568579) is 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene.
What is the SMILES notation for 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene?
The canonical SMILES for 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene is c1ccc(-c2ccc3c4c(-c5ccccc5)c5c(-c6ccccc6)ccc6c5c(c5cccc7c(-c8ccccc8)c8c9cccc%10cccc(c%109)c8c6c75)c4c4ccc(-c5ccccc5)c2c34)cc1.c1ccc(-c2ccc3c4c(-c5ccccc5)c5c(-c6ccccc6)ccc6c5c(c5cccc7c(-c8ccccc8)c8c9cccc%10cccc(c%109)c8c6c75)c4c4cccc2c34)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7cccc8cccc(c87)c6c4c53)c3c4ccc(-c5ccccc5)c5c(-c6ccccc6)ccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7cccc8cccc(c87)c6c4c53)c3c4cccc5c(-c6ccccc6)ccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5c(-c6ccccc6)c6c7cccc8cccc(c87)c6c4c53)c3c4cccc5cccc(c23)c54)cc1.c1ccc(-c2ccccc2-c2c3cccc4c3c(c3cccc5cc6c7cccc8cccc(c87)c6c4c53)c3c4cccc5cccc(c23)c54)cc1.
What is the InChIKey of 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene?
The InChIKey is HRUHQHIKZDTYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H40.2C64H36.C58H32.C52H28/c1-6-19-41(20-7-1)47-35-38-54-61-55(39-36-48(60(47)61)42-21-8-2-9-22-42)69-65(54)59(46-27-14-5-15-28-46)63-49(43-23-10-3-11-24-43)37-40-56-66-62-52(33-18-34-53(62)68(69)70(56)63)58(45-25-12-4-13-26-45)64-50-31-16-29-44-30-17-32-51(57(44)50)67(64)66;1-5-19-41(20-6-1)46-29-13-14-30-49(46)61-53-34-18-36-55-64(53)67(70-57-40-38-48(43-23-9-3-10-24-43)60-47(42-21-7-2-8-22-42)37-39-56(62(57)60)68(61)70)54-35-17-33-52-59(45-25-11-4-12-26-45)65-50-31-15-27-44-28-16-32-51(58(44)50)69(65)66(55)63(52)54;1-5-17-37(18-6-1)42-33-35-50-55-44(42)27-15-31-48(55)62-59(50)54(41-23-11-4-12-24-41)57-43(38-19-7-2-8-20-38)34-36-51-60-56-47(30-16-32-49(56)63(62)64(51)57)53(40-21-9-3-10-22-40)58-45-28-13-25-39-26-14-29-46(52(39)45)61(58)60;1-4-17-37(18-5-1)41-25-10-11-26-44(41)56-49-32-16-34-51-58(49)61(64-48-31-14-27-43-42(38-19-6-2-7-20-38)35-36-52(55(43)48)62(56)64)50-33-15-30-47-54(40-21-8-3-9-22-40)59-45-28-12-23-39-24-13-29-46(53(39)45)63(59)60(51)57(47)50;1-3-15-33(16-4-1)37-23-7-8-24-38(37)50-44-30-14-32-46-52(44)56(58-42-28-12-22-35-20-10-26-40(48(35)42)54(50)58)45-31-13-29-43-49(36-17-5-2-6-18-36)53-39-25-9-19-34-21-11-27-41(47(34)39)57(53)55(46)51(43)45;1-2-12-29(13-3-1)33-19-4-5-20-34(33)46-40-26-11-27-41-47(40)51(52-38-24-9-17-31-16-8-23-37(44(31)38)50(46)52)39-25-10-18-32-28-42-35-21-6-14-30-15-7-22-36(43(30)35)48(42)49(41)45(32)39/h2*1-40H;2*1-36H;1-32H;1-28H.
What are the key properties of 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene?
9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene has a molecular weight of 4753.85 g/mol, XLogP of 107.53, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,32-diphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,14,16,32-pentakis-phenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-phenyl-32-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8(40),9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(36),2,4,6,8(40),9,11,13,15,17,19(39),20(37),21(31),22,24,26(38),27,29,32,34-icosaene;9,14,16,32-tetraphenylundecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene;7,9,32-triphenyl-14-(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4(40),5,7,9,11,13,15,17,19(39),20,22,24,26(38),27,29,31,33,35-icosaene is sourced from PubChem (CID 158568579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).