4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene

C252H160 — CID 159005457

IUPAC4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
SMILESCc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4cc5c6ccc(-c7ccccc7)c7c6c(cc5c5ccc(-c6ccccc6)cc45)-c4ccccc4-7)cc3c3ccc(C)c-2c13.Cc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4cc5c6ccc(C)c7c6c(cc5c5ccc(C)cc45)-c4cc(C)cc(C)c4-7)cc3c3ccc(C)c-2c13.c1ccc(-c2ccc3c(c2)c(-c2cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc24)-c2ccccc2-6)cc2c4ccc(-c5ccccc5)c5c4c(cc32)-c2ccccc2-5)cc1.c1ccc(-c2ccc3c(c2)c(-c2cc4c5cccc6c5c(cc4c4ccccc24)-c2ccccc2-6)cc2c4ccc(-c5ccccc5)c5c4c(cc32)-c2ccccc2-5)cc1
InChIInChI=1S/C72H42.C64H42.C60H34.C56H42/c1-5-17-43(18-6-1)47-29-31-53-59(37-47)65(39-63-57-35-33-49(45-21-9-3-10-22-45)69-55-27-15-13-25-51(55)67(71(57)69)41-61(53)63)66-40-64-58-36-34-50(46-23-11-4-12-24-46)70-56-28-16-14-26-52(56)68(72(58)70)42-62(64)54-32-30-48(38-60(54)66)44-19-7-2-8-20-44;1-35-19-22-44-49(28-35)55(31-53-47-23-20-37(3)61-60-38(4)27-36(2)29-57(60)59(63(47)61)34-52(44)53)56-32-54-48-26-25-42(40-15-9-6-10-16-40)62-46-18-12-11-17-43(46)58(64(48)62)33-51(54)45-24-21-41(30-50(45)56)39-13-7-5-8-14-39;1-3-14-35(15-4-1)37-26-27-44-49(30-37)55(32-54-48-29-28-38(36-16-5-2-6-17-36)59-46-23-12-11-22-43(46)57(60(48)59)34-52(44)54)50-31-53-47-25-13-24-45-39-18-7-10-21-42(39)56(58(45)47)33-51(53)41-20-9-8-19-40(41)50;1-27-9-13-35-39(19-27)45(23-43-37-15-11-31(5)53-51-33(7)17-29(3)21-47(51)49(55(37)53)25-41(35)43)46-24-44-38-16-12-32(6)54-52-34(8)18-30(4)22-48(52)50(56(38)54)26-42(44)36-14-10-28(2)20-40(36)46/h1-42H;5-34H,1-4H3;1-34H;9-26H,1-8H3
InChIKeyJRWBKHLUGNHNPJ-UHFFFAOYSA-N
MW3188.05 g/mol
LogP71.31
Rot. Bonds12

About 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene

4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene (PubChem CID 159005457) has the molecular formula C252H160 and a molecular weight of 3188.05 g/mol. Its IUPAC name is 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
PubChem CID159005457
Molecular FormulaC252H160
Molecular Weight3188.05 g/mol
Exact Mass3185.25
IUPAC Name4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
SMILESCc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4cc5c6ccc(-c7ccccc7)c7c6c(cc5c5ccc(-c6ccccc6)cc45)-c4ccccc4-7)cc3c3ccc(C)c-2c13.Cc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4cc5c6ccc(C)c7c6c(cc5c5ccc(C)cc45)-c4cc(C)cc(C)c4-7)cc3c3ccc(C)c-2c13.c1ccc(-c2ccc3c(c2)c(-c2cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc24)-c2ccccc2-6)cc2c4ccc(-c5ccccc5)c5c4c(cc32)-c2ccccc2-5)cc1.c1ccc(-c2ccc3c(c2)c(-c2cc4c5cccc6c5c(cc4c4ccccc24)-c2ccccc2-6)cc2c4ccc(-c5ccccc5)c5c4c(cc32)-c2ccccc2-5)cc1
InChIInChI=1S/C72H42.C64H42.C60H34.C56H42/c1-5-17-43(18-6-1)47-29-31-53-59(37-47)65(39-63-57-35-33-49(45-21-9-3-10-22-45)69-55-27-15-13-25-51(55)67(71(57)69)41-61(53)63)66-40-64-58-36-34-50(46-23-11-4-12-24-46)70-56-28-16-14-26-52(56)68(72(58)70)42-62(64)54-32-30-48(38-60(54)66)44-19-7-2-8-20-44;1-35-19-22-44-49(28-35)55(31-53-47-23-20-37(3)61-60-38(4)27-36(2)29-57(60)59(63(47)61)34-52(44)53)56-32-54-48-26-25-42(40-15-9-6-10-16-40)62-46-18-12-11-17-43(46)58(64(48)62)33-51(54)45-24-21-41(30-50(45)56)39-13-7-5-8-14-39;1-3-14-35(15-4-1)37-26-27-44-49(30-37)55(32-54-48-29-28-38(36-16-5-2-6-17-36)59-46-23-12-11-22-43(46)57(60(48)59)34-52(44)54)50-31-53-47-25-13-24-45-39-18-7-10-21-42(39)56(58(45)47)33-51(53)41-20-9-8-19-40(41)50;1-27-9-13-35-39(19-27)45(23-43-37-15-11-31(5)53-51-33(7)17-29(3)21-47(51)49(55(37)53)25-41(35)43)46-24-44-38-16-12-32(6)54-52-34(8)18-30(4)22-48(52)50(56(38)54)26-42(44)36-14-10-28(2)20-40(36)46/h1-42H;5-34H,1-4H3;1-34H;9-26H,1-8H3
InChIKeyJRWBKHLUGNHNPJ-UHFFFAOYSA-N
XLogP71.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms252
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003188.05
LogP ≤ 571.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?
The IUPAC name of 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene (CID 159005457) is 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene.
What is the SMILES notation for 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?
The canonical SMILES for 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene is Cc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4cc5c6ccc(-c7ccccc7)c7c6c(cc5c5ccc(-c6ccccc6)cc45)-c4ccccc4-7)cc3c3ccc(C)c-2c13.Cc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4cc5c6ccc(C)c7c6c(cc5c5ccc(C)cc45)-c4cc(C)cc(C)c4-7)cc3c3ccc(C)c-2c13.c1ccc(-c2ccc3c(c2)c(-c2cc4c5ccc(-c6ccccc6)c6c5c(cc4c4ccc(-c5ccccc5)cc24)-c2ccccc2-6)cc2c4ccc(-c5ccccc5)c5c4c(cc32)-c2ccccc2-5)cc1.c1ccc(-c2ccc3c(c2)c(-c2cc4c5cccc6c5c(cc4c4ccccc24)-c2ccccc2-6)cc2c4ccc(-c5ccccc5)c5c4c(cc32)-c2ccccc2-5)cc1.
What is the InChIKey of 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?
The InChIKey is JRWBKHLUGNHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42.C64H42.C60H34.C56H42/c1-5-17-43(18-6-1)47-29-31-53-59(37-47)65(39-63-57-35-33-49(45-21-9-3-10-22-45)69-55-27-15-13-25-51(55)67(71(57)69)41-61(53)63)66-40-64-58-36-34-50(46-23-11-4-12-24-46)70-56-28-16-14-26-52(56)68(72(58)70)42-62(64)54-32-30-48(38-60(54)66)44-19-7-2-8-20-44;1-35-19-22-44-49(28-35)55(31-53-47-23-20-37(3)61-60-38(4)27-36(2)29-57(60)59(63(47)61)34-52(44)53)56-32-54-48-26-25-42(40-15-9-6-10-16-40)62-46-18-12-11-17-43(46)58(64(48)62)33-51(54)45-24-21-41(30-50(45)56)39-13-7-5-8-14-39;1-3-14-35(15-4-1)37-26-27-44-49(30-37)55(32-54-48-29-28-38(36-16-5-2-6-17-36)59-46-23-12-11-22-43(46)57(60(48)59)34-52(44)54)50-31-53-47-25-13-24-45-39-18-7-10-21-42(39)56(58(45)47)33-51(53)41-20-9-8-19-40(41)50;1-27-9-13-35-39(19-27)45(23-43-37-15-11-31(5)53-51-33(7)17-29(3)21-47(51)49(55(37)53)25-41(35)43)46-24-44-38-16-12-32(6)54-52-34(8)18-30(4)22-48(52)50(56(38)54)26-42(44)36-14-10-28(2)20-40(36)46/h1-42H;5-34H,1-4H3;1-34H;9-26H,1-8H3.
What are the key properties of 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?
4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene has a molecular weight of 3188.05 g/mol, XLogP of 71.31, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene is sourced from PubChem (CID 159005457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).