7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene

C240H200O8 — CID 159475699

IUPAC7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)oc2c3cc3ccc4c5oc6cc(-c7ccc(C(C)(C)C)cc7)ccc6c5cc5ccc2c3c54)cc1.Cc1cccc(C)c1-c1cc2c3oc4ccc(-c5ccc(C(C)(C)C)cc5)cc4c3cc3c(-c4c(C)cccc4C)cc4c5oc6ccc(-c7ccc(C(C)(C)C)cc7)cc6c5cc1c4c32.Cc1cccc(C)c1-c1ccc2oc3c(cc4c(-c5ccc(C(C)(C)C)cc5)cc5c6oc7ccc(-c8c(C)cccc8C)cc7c6cc6c(-c7ccc(C(C)(C)C)cc7)cc3c4c65)c2c1.Cc1cccc(C)c1-c1cccc2c1oc1c2cc2c(-c3ccc(C(C)(C)C)cc3)cc3c4oc5c(-c6c(C)cccc6C)cccc5c4cc4c(-c5ccc(C(C)(C)C)cc5)cc1c2c43
InChIInChI=1S/3C64H54O2.C48H38O2/c1-35-15-11-16-36(2)55(35)45-21-13-19-43-51-33-49-48(40-25-29-42(30-26-40)64(8,9)10)32-54-58-50(34-52-44-20-14-22-46(60(44)66-62(52)54)56-37(3)17-12-18-38(56)4)47(31-53(57(49)58)61(51)65-59(43)45)39-23-27-41(28-24-39)63(5,6)7;1-35-13-11-14-36(2)57(35)41-21-27-55-47(29-41)51-33-49-45(39-17-23-43(24-18-39)63(5,6)7)32-54-60-50(46(31-53(59(49)60)61(51)65-55)40-19-25-44(26-20-40)64(8,9)10)34-52-48-30-42(22-28-56(48)66-62(52)54)58-37(3)15-12-16-38(58)4;1-35-13-11-14-36(2)57(35)47-33-53-60-50(32-52-46-30-42(22-28-56(46)65-61(52)53)40-19-25-44(26-20-40)64(8,9)10)48(58-37(3)15-12-16-38(58)4)34-54-59(60)49(47)31-51-45-29-41(21-27-55(45)66-62(51)54)39-17-23-43(24-18-39)63(5,6)7;1-47(2,3)33-15-7-27(8-16-33)29-11-19-35-39-23-31-14-22-38-44-32(13-21-37(43(31)44)45(39)49-41(35)25-29)24-40-36-20-12-30(26-42(36)50-46(38)40)28-9-17-34(18-10-28)48(4,5)6/h3*11-34H,1-10H3;7-26H,1-6H3
InChIKeyLWIVCUAVXLIDOV-UHFFFAOYSA-N
MW3212.23 g/mol
LogP70.95
Rot. Bonds14

About 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene

7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene (PubChem CID 159475699) has the molecular formula C240H200O8 and a molecular weight of 3212.23 g/mol. Its IUPAC name is 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene.

Molecular Properties

Compound Name7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene
PubChem CID159475699
Molecular FormulaC240H200O8
Molecular Weight3212.23 g/mol
Exact Mass3209.52
IUPAC Name7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)oc2c3cc3ccc4c5oc6cc(-c7ccc(C(C)(C)C)cc7)ccc6c5cc5ccc2c3c54)cc1.Cc1cccc(C)c1-c1cc2c3oc4ccc(-c5ccc(C(C)(C)C)cc5)cc4c3cc3c(-c4c(C)cccc4C)cc4c5oc6ccc(-c7ccc(C(C)(C)C)cc7)cc6c5cc1c4c32.Cc1cccc(C)c1-c1ccc2oc3c(cc4c(-c5ccc(C(C)(C)C)cc5)cc5c6oc7ccc(-c8c(C)cccc8C)cc7c6cc6c(-c7ccc(C(C)(C)C)cc7)cc3c4c65)c2c1.Cc1cccc(C)c1-c1cccc2c1oc1c2cc2c(-c3ccc(C(C)(C)C)cc3)cc3c4oc5c(-c6c(C)cccc6C)cccc5c4cc4c(-c5ccc(C(C)(C)C)cc5)cc1c2c43
InChIInChI=1S/3C64H54O2.C48H38O2/c1-35-15-11-16-36(2)55(35)45-21-13-19-43-51-33-49-48(40-25-29-42(30-26-40)64(8,9)10)32-54-58-50(34-52-44-20-14-22-46(60(44)66-62(52)54)56-37(3)17-12-18-38(56)4)47(31-53(57(49)58)61(51)65-59(43)45)39-23-27-41(28-24-39)63(5,6)7;1-35-13-11-14-36(2)57(35)41-21-27-55-47(29-41)51-33-49-45(39-17-23-43(24-18-39)63(5,6)7)32-54-60-50(46(31-53(59(49)60)61(51)65-55)40-19-25-44(26-20-40)64(8,9)10)34-52-48-30-42(22-28-56(48)66-62(52)54)58-37(3)15-12-16-38(58)4;1-35-13-11-14-36(2)57(35)47-33-53-60-50(32-52-46-30-42(22-28-56(46)65-61(52)53)40-19-25-44(26-20-40)64(8,9)10)48(58-37(3)15-12-16-38(58)4)34-54-59(60)49(47)31-51-45-29-41(21-27-55(45)66-62(51)54)39-17-23-43(24-18-39)63(5,6)7;1-47(2,3)33-15-7-27(8-16-33)29-11-19-35-39-23-31-14-22-38-44-32(13-21-37(43(31)44)45(39)49-41(35)25-29)24-40-36-20-12-30(26-42(36)50-46(38)40)28-9-17-34(18-10-28)48(4,5)6/h3*11-34H,1-10H3;7-26H,1-6H3
InChIKeyLWIVCUAVXLIDOV-UHFFFAOYSA-N
XLogP70.95
TPSA105.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms248
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003212.23
LogP ≤ 570.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene?
The IUPAC name of 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene (CID 159475699) is 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene.
What is the SMILES notation for 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene?
The canonical SMILES for 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene is CC(C)(C)c1ccc(-c2ccc3c(c2)oc2c3cc3ccc4c5oc6cc(-c7ccc(C(C)(C)C)cc7)ccc6c5cc5ccc2c3c54)cc1.Cc1cccc(C)c1-c1cc2c3oc4ccc(-c5ccc(C(C)(C)C)cc5)cc4c3cc3c(-c4c(C)cccc4C)cc4c5oc6ccc(-c7ccc(C(C)(C)C)cc7)cc6c5cc1c4c32.Cc1cccc(C)c1-c1ccc2oc3c(cc4c(-c5ccc(C(C)(C)C)cc5)cc5c6oc7ccc(-c8c(C)cccc8C)cc7c6cc6c(-c7ccc(C(C)(C)C)cc7)cc3c4c65)c2c1.Cc1cccc(C)c1-c1cccc2c1oc1c2cc2c(-c3ccc(C(C)(C)C)cc3)cc3c4oc5c(-c6c(C)cccc6C)cccc5c4cc4c(-c5ccc(C(C)(C)C)cc5)cc1c2c43.
What is the InChIKey of 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene?
The InChIKey is LWIVCUAVXLIDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C64H54O2.C48H38O2/c1-35-15-11-16-36(2)55(35)45-21-13-19-43-51-33-49-48(40-25-29-42(30-26-40)64(8,9)10)32-54-58-50(34-52-44-20-14-22-46(60(44)66-62(52)54)56-37(3)17-12-18-38(56)4)47(31-53(57(49)58)61(51)65-59(43)45)39-23-27-41(28-24-39)63(5,6)7;1-35-13-11-14-36(2)57(35)41-21-27-55-47(29-41)51-33-49-45(39-17-23-43(24-18-39)63(5,6)7)32-54-60-50(46(31-53(59(49)60)61(51)65-55)40-19-25-44(26-20-40)64(8,9)10)34-52-48-30-42(22-28-56(48)66-62(52)54)58-37(3)15-12-16-38(58)4;1-35-13-11-14-36(2)57(35)47-33-53-60-50(32-52-46-30-42(22-28-56(46)65-61(52)53)40-19-25-44(26-20-40)64(8,9)10)48(58-37(3)15-12-16-38(58)4)34-54-59(60)49(47)31-51-45-29-41(21-27-55(45)66-62(51)54)39-17-23-43(24-18-39)63(5,6)7;1-47(2,3)33-15-7-27(8-16-33)29-11-19-35-39-23-31-14-22-38-44-32(13-21-37(43(31)44)45(39)49-41(35)25-29)24-40-36-20-12-30(26-42(36)50-46(38)40)28-9-17-34(18-10-28)48(4,5)6/h3*11-34H,1-10H3;7-26H,1-6H3.
What are the key properties of 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene?
7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene has a molecular weight of 3212.23 g/mol, XLogP of 70.95, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,21-bis(4-tert-butylphenyl)-13,27-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-5,19-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;13,27-bis(4-tert-butylphenyl)-7,21-bis(2,6-dimethylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1,4(9),5,7,10,12(29),13,15,18(23),19,21,24,26(30),27-tetradecaene;6,20-bis(4-tert-butylphenyl)-3,17-dioxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene is sourced from PubChem (CID 159475699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).