3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

C440H278N2O2S — CID 158364520

IUPAC3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
SMILESCC(C)c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc(-c8ccccc8)cc7)c7ccccc67)cc2c5c34)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc5c6c(ccc7cccc(c76)C5(c5ccccc5)c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7cc8ccccc8s7)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc(-c8ccc9cccnc9c8)cc7)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc8ccc9cccc%10ccc7c8c9%10)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc2c5c34)cc1.c1ccc(N2c3ccccc3Oc3cc(-c4c5ccccc5c(-c5cc6c7c(ccc8cccc(c87)C6(c6ccccc6)c6ccccc6)c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C59H37NO.C59H38.C57H34.C56H35N.C56H40.C53H32O.C51H32.C49H30S/c1-4-18-42(19-5-1)59(43-20-6-2-7-21-43)49-28-16-17-38-31-32-39-35-41(36-50(59)58(39)57(38)49)56-47-26-12-10-24-45(47)55(46-25-11-13-27-48(46)56)40-33-34-52-54(37-40)61-53-30-15-14-29-51(53)60(52)44-22-8-3-9-23-44;1-5-18-39(19-6-1)43-35-44(40-20-7-2-8-21-40)37-45(36-43)55-49-27-13-15-29-51(49)56(52-30-16-14-28-50(52)55)46-34-42-33-32-41-22-17-31-53-57(41)58(42)54(38-46)59(53,47-23-9-3-10-24-47)48-25-11-4-12-26-48;1-3-16-41(17-4-1)57(42-18-5-2-6-19-42)49-24-12-15-37-27-28-39-33-40(34-50(57)55(39)54(37)49)52-43-20-7-9-22-45(43)56(46-23-10-8-21-44(46)52)48-32-30-38-26-25-35-13-11-14-36-29-31-47(48)53(38)51(35)36;1-3-15-43(16-4-1)56(44-17-5-2-6-18-44)49-23-11-13-38-29-31-41-33-42(34-50(56)55(41)54(38)49)53-47-21-9-7-19-45(47)52(46-20-8-10-22-48(46)53)39-27-24-36(25-28-39)40-30-26-37-14-12-32-57-51(37)35-40;1-36(2)37-30-32-45(33-31-37)56(44-17-7-4-8-18-44)50-23-13-16-40-28-29-42-34-43(35-51(56)55(42)54(40)50)53-48-21-11-9-19-46(48)52(47-20-10-12-22-49(47)53)41-26-24-39(25-27-41)38-14-5-3-6-15-38;1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)45-24-13-14-33-26-27-34-30-36(31-46(53)52(34)51(33)45)50-43-22-9-7-20-41(43)49(42-21-8-10-23-44(42)50)35-28-29-40-39-19-11-12-25-47(39)54-48(40)32-35;1-3-18-37(19-4-1)51(38-20-5-2-6-21-38)45-28-14-17-34-29-30-35-31-36(32-46(51)49(35)48(34)45)47-41-23-9-11-25-43(41)50(44-26-12-10-24-42(44)47)40-27-13-16-33-15-7-8-22-39(33)40;1-3-16-35(17-4-1)49(36-18-5-2-6-19-36)41-24-13-15-31-26-27-33-28-34(29-42(49)47(33)46(31)41)45-37-20-8-10-22-39(37)48(40-23-11-9-21-38(40)45)44-30-32-14-7-12-25-43(32)50-44/h1-37H;1-38H;1-34H;1-35H;3-36H,1-2H3;1-32H;1-32H;1-30H
InChIKeyGTWBTUSBMQYJDB-UHFFFAOYSA-N
MW5657.14 g/mol
LogP117.72
Rot. Bonds38

About 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 158364520) has the molecular formula C440H278N2O2S and a molecular weight of 5657.14 g/mol. Its IUPAC name is 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

Molecular Properties

Compound Name3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
PubChem CID158364520
Molecular FormulaC440H278N2O2S
Molecular Weight5657.14 g/mol
Exact Mass5652.14
IUPAC Name3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
SMILESCC(C)c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc(-c8ccccc8)cc7)c7ccccc67)cc2c5c34)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc5c6c(ccc7cccc(c76)C5(c5ccccc5)c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7cc8ccccc8s7)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc(-c8ccc9cccnc9c8)cc7)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc8ccc9cccc%10ccc7c8c9%10)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc2c5c34)cc1.c1ccc(N2c3ccccc3Oc3cc(-c4c5ccccc5c(-c5cc6c7c(ccc8cccc(c87)C6(c6ccccc6)c6ccccc6)c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C59H37NO.C59H38.C57H34.C56H35N.C56H40.C53H32O.C51H32.C49H30S/c1-4-18-42(19-5-1)59(43-20-6-2-7-21-43)49-28-16-17-38-31-32-39-35-41(36-50(59)58(39)57(38)49)56-47-26-12-10-24-45(47)55(46-25-11-13-27-48(46)56)40-33-34-52-54(37-40)61-53-30-15-14-29-51(53)60(52)44-22-8-3-9-23-44;1-5-18-39(19-6-1)43-35-44(40-20-7-2-8-21-40)37-45(36-43)55-49-27-13-15-29-51(49)56(52-30-16-14-28-50(52)55)46-34-42-33-32-41-22-17-31-53-57(41)58(42)54(38-46)59(53,47-23-9-3-10-24-47)48-25-11-4-12-26-48;1-3-16-41(17-4-1)57(42-18-5-2-6-19-42)49-24-12-15-37-27-28-39-33-40(34-50(57)55(39)54(37)49)52-43-20-7-9-22-45(43)56(46-23-10-8-21-44(46)52)48-32-30-38-26-25-35-13-11-14-36-29-31-47(48)53(38)51(35)36;1-3-15-43(16-4-1)56(44-17-5-2-6-18-44)49-23-11-13-38-29-31-41-33-42(34-50(56)55(41)54(38)49)53-47-21-9-7-19-45(47)52(46-20-8-10-22-48(46)53)39-27-24-36(25-28-39)40-30-26-37-14-12-32-57-51(37)35-40;1-36(2)37-30-32-45(33-31-37)56(44-17-7-4-8-18-44)50-23-13-16-40-28-29-42-34-43(35-51(56)55(42)54(40)50)53-48-21-11-9-19-46(48)52(47-20-10-12-22-49(47)53)41-26-24-39(25-27-41)38-14-5-3-6-15-38;1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)45-24-13-14-33-26-27-34-30-36(31-46(53)52(34)51(33)45)50-43-22-9-7-20-41(43)49(42-21-8-10-23-44(42)50)35-28-29-40-39-19-11-12-25-47(39)54-48(40)32-35;1-3-18-37(19-4-1)51(38-20-5-2-6-21-38)45-28-14-17-34-29-30-35-31-36(32-46(51)49(35)48(34)45)47-41-23-9-11-25-43(41)50(44-26-12-10-24-42(44)47)40-27-13-16-33-15-7-8-22-39(33)40;1-3-16-35(17-4-1)49(36-18-5-2-6-19-36)41-24-13-15-31-26-27-33-28-34(29-42(49)47(33)46(31)41)45-37-20-8-10-22-39(37)48(40-23-11-9-21-38(40)45)44-30-32-14-7-12-25-43(32)50-44/h1-37H;1-38H;1-34H;1-35H;3-36H,1-2H3;1-32H;1-32H;1-30H
InChIKeyGTWBTUSBMQYJDB-UHFFFAOYSA-N
XLogP117.72
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds38
Heavy Atoms445
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005657.14
LogP ≤ 5117.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene with MolForge

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What is the IUPAC name of 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
The IUPAC name of 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 158364520) is 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.
What is the SMILES notation for 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
The canonical SMILES for 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is CC(C)c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc(-c8ccccc8)cc7)c7ccccc67)cc2c5c34)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc5c6c(ccc7cccc(c76)C5(c5ccccc5)c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7cc8ccccc8s7)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc(-c8ccc9cccnc9c8)cc7)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc8c(c7)oc7ccccc78)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7ccc8ccc9cccc%10ccc7c8c9%10)c7ccccc67)cc2c5c34)cc1.c1ccc(C2(c3ccccc3)c3cccc4ccc5cc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc2c5c34)cc1.c1ccc(N2c3ccccc3Oc3cc(-c4c5ccccc5c(-c5cc6c7c(ccc8cccc(c87)C6(c6ccccc6)c6ccccc6)c5)c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
The InChIKey is GTWBTUSBMQYJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO.C59H38.C57H34.C56H35N.C56H40.C53H32O.C51H32.C49H30S/c1-4-18-42(19-5-1)59(43-20-6-2-7-21-43)49-28-16-17-38-31-32-39-35-41(36-50(59)58(39)57(38)49)56-47-26-12-10-24-45(47)55(46-25-11-13-27-48(46)56)40-33-34-52-54(37-40)61-53-30-15-14-29-51(53)60(52)44-22-8-3-9-23-44;1-5-18-39(19-6-1)43-35-44(40-20-7-2-8-21-40)37-45(36-43)55-49-27-13-15-29-51(49)56(52-30-16-14-28-50(52)55)46-34-42-33-32-41-22-17-31-53-57(41)58(42)54(38-46)59(53,47-23-9-3-10-24-47)48-25-11-4-12-26-48;1-3-16-41(17-4-1)57(42-18-5-2-6-19-42)49-24-12-15-37-27-28-39-33-40(34-50(57)55(39)54(37)49)52-43-20-7-9-22-45(43)56(46-23-10-8-21-44(46)52)48-32-30-38-26-25-35-13-11-14-36-29-31-47(48)53(38)51(35)36;1-3-15-43(16-4-1)56(44-17-5-2-6-18-44)49-23-11-13-38-29-31-41-33-42(34-50(56)55(41)54(38)49)53-47-21-9-7-19-45(47)52(46-20-8-10-22-48(46)53)39-27-24-36(25-28-39)40-30-26-37-14-12-32-57-51(37)35-40;1-36(2)37-30-32-45(33-31-37)56(44-17-7-4-8-18-44)50-23-13-16-40-28-29-42-34-43(35-51(56)55(42)54(40)50)53-48-21-11-9-19-46(48)52(47-20-10-12-22-49(47)53)41-26-24-39(25-27-41)38-14-5-3-6-15-38;1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)45-24-13-14-33-26-27-34-30-36(31-46(53)52(34)51(33)45)50-43-22-9-7-20-41(43)49(42-21-8-10-23-44(42)50)35-28-29-40-39-19-11-12-25-47(39)54-48(40)32-35;1-3-18-37(19-4-1)51(38-20-5-2-6-21-38)45-28-14-17-34-29-30-35-31-36(32-46(51)49(35)48(34)45)47-41-23-9-11-25-43(41)50(44-26-12-10-24-42(44)47)40-27-13-16-33-15-7-8-22-39(33)40;1-3-16-35(17-4-1)49(36-18-5-2-6-19-36)41-24-13-15-31-26-27-33-28-34(29-42(49)47(33)46(31)41)45-37-20-8-10-22-39(37)48(40-23-11-9-21-38(40)45)44-30-32-14-7-12-25-43(32)50-44/h1-37H;1-38H;1-34H;1-35H;3-36H,1-2H3;1-32H;1-32H;1-30H.
What are the key properties of 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene has a molecular weight of 5657.14 g/mol, XLogP of 117.72, 38 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(3,5-diphenylphenyl)anthracen-9-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;2-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-1-benzothiophene;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]dibenzofuran;3-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]-10-phenylphenoxazine;7-[4-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]phenyl]quinoline;1-[10-(15,15-diphenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anthracen-9-yl]pyrene;3-(10-naphthalen-1-ylanthracen-9-yl)-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;15-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-15-(4-propan-2-ylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is sourced from PubChem (CID 158364520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).