8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene

C274H176 — CID 159927687

IUPAC8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
SMILESCc1ccc(C)c(-c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c7cccc8cccc(c6c(-c6ccccc6)c5cc3c24)c87)c1.Cc1cccc(C)c1-c1ccc2c(c1)c1cccc3c4c(-c5ccccc5)c5c6ccc(-c7c(C)cccc7C)c7cccc(c5c(-c5ccccc5)c4cc2c13)c76.Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4)c4c(cc5c6ccc(-c7ccccc7)cc6c6cccc4c65)c(-c4ccccc4)c3c3cccc1c32.Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4)c4cc5c6ccc(-c7ccccc7)cc6c6cccc(c4c(-c4ccccc4)c3c3cccc1c23)c65.c1ccc(-c2ccccc2-c2ccc3c4c(-c5ccccc5)c5c(cc6c7ccccc7c7cccc5c76)c(-c5ccccc5)c4c4cccc2c43)cc1
InChIInChI=1S/C58H40.2C56H36.C54H32.C50H32/c1-33-15-11-16-34(2)50(33)39-27-28-40-47(31-39)42-24-14-25-44-55(42)48(40)32-49-52(37-19-7-5-8-20-37)57-45-26-13-23-41-43(51-35(3)17-12-18-36(51)4)29-30-46(54(41)45)58(57)53(56(44)49)38-21-9-6-10-22-38;1-33-15-12-16-34(2)49(33)42-29-30-45-52-40(42)23-13-26-44(52)56-51(37-21-10-5-11-22-37)54-43-25-14-24-41-46-31-38(35-17-6-3-7-18-35)27-28-39(46)47(53(41)43)32-48(54)50(55(45)56)36-19-8-4-9-20-36;1-33-15-12-16-34(2)49(33)42-29-30-45-52-40(42)23-13-26-44(52)55-50(36-19-8-4-9-20-36)48-32-47-39-28-27-38(35-17-6-3-7-18-35)31-46(39)41-24-14-25-43(53(41)47)54(48)51(56(45)55)37-21-10-5-11-22-37;1-4-16-33(17-5-1)36-22-10-11-23-37(36)40-30-31-45-50-42(40)27-15-29-44(50)53-48(34-18-6-2-7-19-34)47-32-46-39-25-13-12-24-38(39)41-26-14-28-43(51(41)46)52(47)49(54(45)53)35-20-8-3-9-21-35;1-29-22-23-30(2)40(26-29)34-24-25-35-41(27-34)36-18-11-21-39-47(36)42(35)28-43-45(32-12-5-3-6-13-32)49-37-19-9-16-31-17-10-20-38(44(31)37)50(49)46(48(39)43)33-14-7-4-8-15-33/h5-32H,1-4H3;2*3-32H,1-2H3;1-32H;3-28H,1-2H3
InChIKeyNZFRRFGNJSBZTQ-UHFFFAOYSA-N
MW3468.42 g/mol
LogP77.93
Rot. Bonds19

About 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene

8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene (PubChem CID 159927687) has the molecular formula C274H176 and a molecular weight of 3468.42 g/mol. Its IUPAC name is 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene.

Molecular Properties

Compound Name8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
PubChem CID159927687
Molecular FormulaC274H176
Molecular Weight3468.42 g/mol
Exact Mass3465.38
IUPAC Name8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
SMILESCc1ccc(C)c(-c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c7cccc8cccc(c6c(-c6ccccc6)c5cc3c24)c87)c1.Cc1cccc(C)c1-c1ccc2c(c1)c1cccc3c4c(-c5ccccc5)c5c6ccc(-c7c(C)cccc7C)c7cccc(c5c(-c5ccccc5)c4cc2c13)c76.Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4)c4c(cc5c6ccc(-c7ccccc7)cc6c6cccc4c65)c(-c4ccccc4)c3c3cccc1c32.Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4)c4cc5c6ccc(-c7ccccc7)cc6c6cccc(c4c(-c4ccccc4)c3c3cccc1c23)c65.c1ccc(-c2ccccc2-c2ccc3c4c(-c5ccccc5)c5c(cc6c7ccccc7c7cccc5c76)c(-c5ccccc5)c4c4cccc2c43)cc1
InChIInChI=1S/C58H40.2C56H36.C54H32.C50H32/c1-33-15-11-16-34(2)50(33)39-27-28-40-47(31-39)42-24-14-25-44-55(42)48(40)32-49-52(37-19-7-5-8-20-37)57-45-26-13-23-41-43(51-35(3)17-12-18-36(51)4)29-30-46(54(41)45)58(57)53(56(44)49)38-21-9-6-10-22-38;1-33-15-12-16-34(2)49(33)42-29-30-45-52-40(42)23-13-26-44(52)56-51(37-21-10-5-11-22-37)54-43-25-14-24-41-46-31-38(35-17-6-3-7-18-35)27-28-39(46)47(53(41)43)32-48(54)50(55(45)56)36-19-8-4-9-20-36;1-33-15-12-16-34(2)49(33)42-29-30-45-52-40(42)23-13-26-44(52)55-50(36-19-8-4-9-20-36)48-32-47-39-28-27-38(35-17-6-3-7-18-35)31-46(39)41-24-14-25-43(53(41)47)54(48)51(56(45)55)37-21-10-5-11-22-37;1-4-16-33(17-5-1)36-22-10-11-23-37(36)40-30-31-45-50-42(40)27-15-29-44(50)53-48(34-18-6-2-7-19-34)47-32-46-39-25-13-12-24-38(39)41-26-14-28-43(51(41)46)52(47)49(54(45)53)35-20-8-3-9-21-35;1-29-22-23-30(2)40(26-29)34-24-25-35-41(27-34)36-18-11-21-39-47(36)42(35)28-43-45(32-12-5-3-6-13-32)49-37-19-9-16-31-17-10-20-38(44(31)37)50(49)46(48(39)43)33-14-7-4-8-15-33/h5-32H,1-4H3;2*3-32H,1-2H3;1-32H;3-28H,1-2H3
InChIKeyNZFRRFGNJSBZTQ-UHFFFAOYSA-N
XLogP77.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms274
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003468.42
LogP ≤ 577.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene with MolForge

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Related Compounds

8-(2,6-dimethylphenyl)-21,22-dimethyl-3-phenyl-15-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 58068102
10-[6-(2,6-dimethylphenyl)naphthalen-2-yl]-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 164944426
22-(3,5-ditert-butylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8,22-bis(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-diphenyl-10-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;3,10,15,21,22-pentakis-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 167548163
10-(2,6-dimethylphenyl)-3,15-bis(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068175
3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene
CID 123989486
8-(2,6-dimethylphenyl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5(34),6,8,10,12,14,16,19,21,23,25(33),26,28,30-heptadecaene
CID 123301844
3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,11,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;3,15,21-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 159009907
10-(2,6-dimethylfluoranthen-3-yl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068182
8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 58068341
10,32-bis(2,6-dimethylphenyl)-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene;10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene;10-[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene;31-[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene
CID 157158963
3,15-diphenyl-10-(6-phenylnaphthalen-2-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 153419758
3,15-bis(2-methylphenyl)-8-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 168812662

Frequently Asked Questions

What is the IUPAC name of 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene?
The IUPAC name of 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene (CID 159927687) is 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene.
What is the SMILES notation for 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene?
The canonical SMILES for 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene is Cc1ccc(C)c(-c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c7cccc8cccc(c6c(-c6ccccc6)c5cc3c24)c87)c1.Cc1cccc(C)c1-c1ccc2c(c1)c1cccc3c4c(-c5ccccc5)c5c6ccc(-c7c(C)cccc7C)c7cccc(c5c(-c5ccccc5)c4cc2c13)c76.Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4)c4c(cc5c6ccc(-c7ccccc7)cc6c6cccc4c65)c(-c4ccccc4)c3c3cccc1c32.Cc1cccc(C)c1-c1ccc2c3c(-c4ccccc4)c4cc5c6ccc(-c7ccccc7)cc6c6cccc(c4c(-c4ccccc4)c3c3cccc1c23)c65.c1ccc(-c2ccccc2-c2ccc3c4c(-c5ccccc5)c5c(cc6c7ccccc7c7cccc5c76)c(-c5ccccc5)c4c4cccc2c43)cc1.
What is the InChIKey of 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene?
The InChIKey is NZFRRFGNJSBZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40.2C56H36.C54H32.C50H32/c1-33-15-11-16-34(2)50(33)39-27-28-40-47(31-39)42-24-14-25-44-55(42)48(40)32-49-52(37-19-7-5-8-20-37)57-45-26-13-23-41-43(51-35(3)17-12-18-36(51)4)29-30-46(54(41)45)58(57)53(56(44)49)38-21-9-6-10-22-38;1-33-15-12-16-34(2)49(33)42-29-30-45-52-40(42)23-13-26-44(52)56-51(37-21-10-5-11-22-37)54-43-25-14-24-41-46-31-38(35-17-6-3-7-18-35)27-28-39(46)47(53(41)43)32-48(54)50(55(45)56)36-19-8-4-9-20-36;1-33-15-12-16-34(2)49(33)42-29-30-45-52-40(42)23-13-26-44(52)55-50(36-19-8-4-9-20-36)48-32-47-39-28-27-38(35-17-6-3-7-18-35)31-46(39)41-24-14-25-43(53(41)47)54(48)51(56(45)55)37-21-10-5-11-22-37;1-4-16-33(17-5-1)36-22-10-11-23-37(36)40-30-31-45-50-42(40)27-15-29-44(50)53-48(34-18-6-2-7-19-34)47-32-46-39-25-13-12-24-38(39)41-26-14-28-43(51(41)46)52(47)49(54(45)53)35-20-8-3-9-21-35;1-29-22-23-30(2)40(26-29)34-24-25-35-41(27-34)36-18-11-21-39-47(36)42(35)28-43-45(32-12-5-3-6-13-32)49-37-19-9-16-31-17-10-20-38(44(31)37)50(49)46(48(39)43)33-14-7-4-8-15-33/h5-32H,1-4H3;2*3-32H,1-2H3;1-32H;3-28H,1-2H3.
What are the key properties of 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene?
8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene has a molecular weight of 3468.42 g/mol, XLogP of 77.93, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,22-bis(2,6-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;22-(2,5-dimethylphenyl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(2-phenylphenyl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene is sourced from PubChem (CID 159927687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).