8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene

C224H184 — CID 159445566

IUPAC8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(C(C)(C)C)cc4c5ccc6c(cc7c8ccc(-c9cc(C)cc(C)c9)cc8c8cc(C(C)(C)C)cc6c87)c5cc3c42)c1.Cc1ccc2c(c1)c1cc(-c3cccc(C)c3C)cc3c4ccc5c(cc6c7ccc(C)cc7c7cc(-c8cccc(C)c8C)cc5c76)c4cc2c31.Cc1cccc(-c2cc3c4ccc5c(cc6c7ccc(C(C)(C)C)cc7c7cc(-c8cccc(C)c8C)cc5c76)c4cc4c5ccc(C(C)(C)C)cc5c(c2)c34)c1C.Cc1cccc(-c2cc3c4ccc5c(cc6c7ccc(C(C)C)cc7c7cc(-c8cccc(C)c8C)cc5c76)c4cc4c5ccc(C(C)C)cc5c(c2)c34)c1C
InChIInChI=1S/2C58H50.C56H46.C52H38/c1-31-17-32(2)20-37(19-31)35-11-13-41-45(23-35)51-27-39(57(5,6)7)25-49-43-15-16-44-48(47(43)29-53(41)55(49)51)30-54-42-14-12-36(38-21-33(3)18-34(4)22-38)24-46(42)52-28-40(58(8,9)10)26-50(44)56(52)54;1-31-13-11-15-39(33(31)3)35-23-49-43-21-22-44-48(47(43)29-53-41-19-17-37(57(5,6)7)27-45(41)51(25-35)55(49)53)30-54-42-20-18-38(58(8,9)10)28-46(42)52-26-36(24-50(44)56(52)54)40-16-12-14-32(2)34(40)4;1-29(2)35-15-17-41-45(21-35)51-25-37(39-13-9-11-31(5)33(39)7)23-49-43-19-20-44-48(47(43)27-53(41)55(49)51)28-54-42-18-16-36(30(3)4)22-46(42)52-26-38(24-50(44)56(52)54)40-14-10-12-32(6)34(40)8;1-27-13-15-37-41(19-27)47-23-33(35-11-7-9-29(3)31(35)5)21-45-39-17-18-40-44(43(39)25-49(37)51(45)47)26-50-38-16-14-28(2)20-42(38)48-24-34(22-46(40)52(48)50)36-12-8-10-30(4)32(36)6/h2*11-30H,1-10H3;9-30H,1-8H3;7-26H,1-6H3
InChIKeyLSSHCKDKNUGQQH-UHFFFAOYSA-N
MW2875.94 g/mol
LogP65.48
Rot. Bonds10

About 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene

8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene (PubChem CID 159445566) has the molecular formula C224H184 and a molecular weight of 2875.94 g/mol. Its IUPAC name is 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene.

Molecular Properties

Compound Name8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene
PubChem CID159445566
Molecular FormulaC224H184
Molecular Weight2875.94 g/mol
Exact Mass2873.44
IUPAC Name8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(C(C)(C)C)cc4c5ccc6c(cc7c8ccc(-c9cc(C)cc(C)c9)cc8c8cc(C(C)(C)C)cc6c87)c5cc3c42)c1.Cc1ccc2c(c1)c1cc(-c3cccc(C)c3C)cc3c4ccc5c(cc6c7ccc(C)cc7c7cc(-c8cccc(C)c8C)cc5c76)c4cc2c31.Cc1cccc(-c2cc3c4ccc5c(cc6c7ccc(C(C)(C)C)cc7c7cc(-c8cccc(C)c8C)cc5c76)c4cc4c5ccc(C(C)(C)C)cc5c(c2)c34)c1C.Cc1cccc(-c2cc3c4ccc5c(cc6c7ccc(C(C)C)cc7c7cc(-c8cccc(C)c8C)cc5c76)c4cc4c5ccc(C(C)C)cc5c(c2)c34)c1C
InChIInChI=1S/2C58H50.C56H46.C52H38/c1-31-17-32(2)20-37(19-31)35-11-13-41-45(23-35)51-27-39(57(5,6)7)25-49-43-15-16-44-48(47(43)29-53(41)55(49)51)30-54-42-14-12-36(38-21-33(3)18-34(4)22-38)24-46(42)52-28-40(58(8,9)10)26-50(44)56(52)54;1-31-13-11-15-39(33(31)3)35-23-49-43-21-22-44-48(47(43)29-53-41-19-17-37(57(5,6)7)27-45(41)51(25-35)55(49)53)30-54-42-20-18-38(58(8,9)10)28-46(42)52-26-36(24-50(44)56(52)54)40-16-12-14-32(2)34(40)4;1-29(2)35-15-17-41-45(21-35)51-25-37(39-13-9-11-31(5)33(39)7)23-49-43-19-20-44-48(47(43)27-53(41)55(49)51)28-54-42-18-16-36(30(3)4)22-46(42)52-26-38(24-50(44)56(52)54)40-14-10-12-32(6)34(40)8;1-27-13-15-37-41(19-27)47-23-33(35-11-7-9-29(3)31(35)5)21-45-39-17-18-40-44(43(39)25-49(37)51(45)47)26-50-38-16-14-28(2)20-42(38)48-24-34(22-46(40)52(48)50)36-12-8-10-30(4)32(36)6/h2*11-30H,1-10H3;9-30H,1-8H3;7-26H,1-6H3
InChIKeyLSSHCKDKNUGQQH-UHFFFAOYSA-N
XLogP65.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms224
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002875.94
LogP ≤ 565.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene?
The IUPAC name of 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene (CID 159445566) is 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene.
What is the SMILES notation for 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene?
The canonical SMILES for 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(C(C)(C)C)cc4c5ccc6c(cc7c8ccc(-c9cc(C)cc(C)c9)cc8c8cc(C(C)(C)C)cc6c87)c5cc3c42)c1.Cc1ccc2c(c1)c1cc(-c3cccc(C)c3C)cc3c4ccc5c(cc6c7ccc(C)cc7c7cc(-c8cccc(C)c8C)cc5c76)c4cc2c31.Cc1cccc(-c2cc3c4ccc5c(cc6c7ccc(C(C)(C)C)cc7c7cc(-c8cccc(C)c8C)cc5c76)c4cc4c5ccc(C(C)(C)C)cc5c(c2)c34)c1C.Cc1cccc(-c2cc3c4ccc5c(cc6c7ccc(C(C)C)cc7c7cc(-c8cccc(C)c8C)cc5c76)c4cc4c5ccc(C(C)C)cc5c(c2)c34)c1C.
What is the InChIKey of 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene?
The InChIKey is LSSHCKDKNUGQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H50.C56H46.C52H38/c1-31-17-32(2)20-37(19-31)35-11-13-41-45(23-35)51-27-39(57(5,6)7)25-49-43-15-16-44-48(47(43)29-53(41)55(49)51)30-54-42-14-12-36(38-21-33(3)18-34(4)22-38)24-46(42)52-28-40(58(8,9)10)26-50(44)56(52)54;1-31-13-11-15-39(33(31)3)35-23-49-43-21-22-44-48(47(43)29-53-41-19-17-37(57(5,6)7)27-45(41)51(25-35)55(49)53)30-54-42-20-18-38(58(8,9)10)28-46(42)52-26-36(24-50(44)56(52)54)40-16-12-14-32(2)34(40)4;1-29(2)35-15-17-41-45(21-35)51-25-37(39-13-9-11-31(5)33(39)7)23-49-43-19-20-44-48(47(43)27-53(41)55(49)51)28-54-42-18-16-36(30(3)4)22-46(42)52-26-38(24-50(44)56(52)54)40-14-10-12-32(6)34(40)8;1-27-13-15-37-41(19-27)47-23-33(35-11-7-9-29(3)31(35)5)21-45-39-17-18-40-44(43(39)25-49(37)51(45)47)26-50-38-16-14-28(2)20-42(38)48-24-34(22-46(40)52(48)50)36-12-8-10-30(4)32(36)6/h2*11-30H,1-10H3;9-30H,1-8H3;7-26H,1-6H3.
What are the key properties of 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene?
8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene has a molecular weight of 2875.94 g/mol, XLogP of 65.48, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,31-bis(2,3-dimethylphenyl)-13,26-dimethylnonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-bis(2,3-dimethylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;8,31-ditert-butyl-13,26-bis(3,5-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene;13,26-ditert-butyl-8,31-bis(2,3-dimethylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene is sourced from PubChem (CID 159445566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).