5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene

C226H188 — CID 161049206

IUPAC5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2cc4c5c(cccc5c2-3)C(C)(C)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-4)cc1.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc2-1.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3cccc4ccccc34)ccc2-1.CC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3ccccc3)ccc2-1.Cc1ccc(-c2ccc3c(c2)C(C)(C)c2cc4c5c(cccc5c2-3)C(C)(C)c2cc(-c3ccc(C)cc3)ccc2-4)cc1
InChIInChI=1S/2C48H36.C48H48.C42H36.C40H32/c1-47(2)41-21-11-20-39-45-38-25-23-32(36-19-10-15-30-13-6-8-17-34(30)36)27-43(38)48(3,4)44(45)28-40(46(39)41)37-24-22-31(26-42(37)47)35-18-9-14-29-12-5-7-16-33(29)35;1-47(2)41-15-9-14-39-45-38-23-21-36(34-19-17-30-11-6-8-13-32(30)25-34)27-43(38)48(3,4)44(45)28-40(46(39)41)37-22-20-35(26-42(37)47)33-18-16-29-10-5-7-12-31(29)24-33;1-45(2,3)33-20-14-29(15-21-33)31-18-24-35-38-28-42-43(37-12-11-13-39(44(37)38)47(7,8)40(35)26-31)36-25-19-32(27-41(36)48(42,9)10)30-16-22-34(23-17-30)46(4,5)6;1-25-10-14-27(15-11-25)29-18-20-31-34-24-38-39(33-8-7-9-35(40(33)34)41(3,4)36(31)22-29)32-21-19-30(23-37(32)42(38,5)6)28-16-12-26(2)13-17-28;1-39(2)33-17-11-16-31-37-30-21-19-28(26-14-9-6-10-15-26)23-35(30)40(3,4)36(37)24-32(38(31)33)29-20-18-27(22-34(29)39)25-12-7-5-8-13-25/h2*5-28H,1-4H3;11-28H,1-10H3;7-24H,1-6H3;5-24H,1-4H3
InChIKeyUBXCTNGPFVCIRG-UHFFFAOYSA-N
MW2903.99 g/mol
LogP61.76
Rot. Bonds10

About 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene

5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene (PubChem CID 161049206) has the molecular formula C226H188 and a molecular weight of 2903.99 g/mol. Its IUPAC name is 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene.

Molecular Properties

Compound Name5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
PubChem CID161049206
Molecular FormulaC226H188
Molecular Weight2903.99 g/mol
Exact Mass2901.47
IUPAC Name5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2cc4c5c(cccc5c2-3)C(C)(C)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-4)cc1.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc2-1.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3cccc4ccccc34)ccc2-1.CC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3ccccc3)ccc2-1.Cc1ccc(-c2ccc3c(c2)C(C)(C)c2cc4c5c(cccc5c2-3)C(C)(C)c2cc(-c3ccc(C)cc3)ccc2-4)cc1
InChIInChI=1S/2C48H36.C48H48.C42H36.C40H32/c1-47(2)41-21-11-20-39-45-38-25-23-32(36-19-10-15-30-13-6-8-17-34(30)36)27-43(38)48(3,4)44(45)28-40(46(39)41)37-24-22-31(26-42(37)47)35-18-9-14-29-12-5-7-16-33(29)35;1-47(2)41-15-9-14-39-45-38-23-21-36(34-19-17-30-11-6-8-13-32(30)25-34)27-43(38)48(3,4)44(45)28-40(46(39)41)37-22-20-35(26-42(37)47)33-18-16-29-10-5-7-12-31(29)24-33;1-45(2,3)33-20-14-29(15-21-33)31-18-24-35-38-28-42-43(37-12-11-13-39(44(37)38)47(7,8)40(35)26-31)36-25-19-32(27-41(36)48(42,9)10)30-16-22-34(23-17-30)46(4,5)6;1-25-10-14-27(15-11-25)29-18-20-31-34-24-38-39(33-8-7-9-35(40(33)34)41(3,4)36(31)22-29)32-21-19-30(23-37(32)42(38,5)6)28-16-12-26(2)13-17-28;1-39(2)33-17-11-16-31-37-30-21-19-28(26-14-9-6-10-15-26)23-35(30)40(3,4)36(37)24-32(38(31)33)29-20-18-27(22-34(29)39)25-12-7-5-8-13-25/h2*5-28H,1-4H3;11-28H,1-10H3;7-24H,1-6H3;5-24H,1-4H3
InChIKeyUBXCTNGPFVCIRG-UHFFFAOYSA-N
XLogP61.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms226
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002903.99
LogP ≤ 561.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene with MolForge

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Related Compounds

1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)pyrene;tris(1-(9,9-dimethylfluoren-2-yl)pyrene);1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-(9,9-dimethyl-7-phenylfluoren-2-yl)pyrene;1-(7,9,9-trimethylfluoren-2-yl)pyrene
CID 159148611
N,N-diphenyl-4-[8,8,21,21-tetramethyl-18-[4-(N-phenylanilino)naphthalen-1-yl]-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]naphthalen-1-amine;8,8,21,21-tetramethyl-5,18-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5-naphthalen-1-yl-18-(4-naphthalen-1-ylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5-naphthalen-1-yl-18-(4-naphthalen-2-ylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5-naphthalen-2-yl-18-(4-naphthalen-1-ylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 158355906
2-tert-butyl-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-methyl-9,10-diphenylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;2,9,10-triphenylanthracene
CID 162099902
9-[7-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-yl]-10-(2-naphthalen-2-ylphenyl)anthracene
CID 140808444
8,8,21,21-tetramethyl-5,18-bis(2-phenylnaphthalen-1-yl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 59182205
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-tert-butyl-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 160870515
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 158458255
9-(4-tert-butylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[10-(3-phenylnaphthalen-2-yl)anthracen-9-yl]anthracene;9-(3,5-dimethylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-diphenylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-[10-(3-phenylnaphthalen-2-yl)anthracen-9-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3-phenylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;9-phenyl-10-[10-(3-phenylnaphthalen-2-yl)anthracen-9-yl]anthracene
CID 161005182
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene
CID 161324797
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969

Frequently Asked Questions

What is the IUPAC name of 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
The IUPAC name of 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene (CID 161049206) is 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene.
What is the SMILES notation for 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
The canonical SMILES for 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene is CC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2cc4c5c(cccc5c2-3)C(C)(C)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2-4)cc1.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3ccc4ccccc4c3)ccc2-1.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3cccc4ccccc34)ccc2-1.CC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3ccccc3)ccc2-1.Cc1ccc(-c2ccc3c(c2)C(C)(C)c2cc4c5c(cccc5c2-3)C(C)(C)c2cc(-c3ccc(C)cc3)ccc2-4)cc1.
What is the InChIKey of 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
The InChIKey is UBXCTNGPFVCIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H36.C48H48.C42H36.C40H32/c1-47(2)41-21-11-20-39-45-38-25-23-32(36-19-10-15-30-13-6-8-17-34(30)36)27-43(38)48(3,4)44(45)28-40(46(39)41)37-24-22-31(26-42(37)47)35-18-9-14-29-12-5-7-16-33(29)35;1-47(2)41-15-9-14-39-45-38-23-21-36(34-19-17-30-11-6-8-13-32(30)25-34)27-43(38)48(3,4)44(45)28-40(46(39)41)37-22-20-35(26-42(37)47)33-18-16-29-10-5-7-12-31(29)24-33;1-45(2,3)33-20-14-29(15-21-33)31-18-24-35-38-28-42-43(37-12-11-13-39(44(37)38)47(7,8)40(35)26-31)36-25-19-32(27-41(36)48(42,9)10)30-16-22-34(23-17-30)46(4,5)6;1-25-10-14-27(15-11-25)29-18-20-31-34-24-38-39(33-8-7-9-35(40(33)34)41(3,4)36(31)22-29)32-21-19-30(23-37(32)42(38,5)6)28-16-12-26(2)13-17-28;1-39(2)33-17-11-16-31-37-30-21-19-28(26-14-9-6-10-15-26)23-35(30)40(3,4)36(37)24-32(38(31)33)29-20-18-27(22-34(29)39)25-12-7-5-8-13-25/h2*5-28H,1-4H3;11-28H,1-10H3;7-24H,1-6H3;5-24H,1-4H3.
What are the key properties of 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene has a molecular weight of 2903.99 g/mol, XLogP of 61.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene is sourced from PubChem (CID 161049206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).