11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene

C204H220B4N8O8 — CID 159686104

IUPAC11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene
SMILESCc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4c(C(C)(C)C)cc(C(C)(C)C)cc14)B3c1oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4c(C(C)(C)C)cccc14)B3c1oc3c(C(C)(C)C)cccc3c1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4ccc(C(C)(C)C)cc14)B3c1oc3ccc(C(C)(C)C)cc3c1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4ccccc14)B3c1oc3ccccc3c1N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C59H71BN2O2.2C51H55BN2O2.C43H39BN2O2/c1-34-28-45-47-46(29-34)62(40-26-22-36(23-27-40)55(5,6)7)49-42-31-38(57(11,12)13)33-44(59(17,18)19)51(42)64-53(49)60(47)52-48(61(45)39-24-20-35(21-25-39)54(2,3)4)41-30-37(56(8,9)10)32-43(50(41)63-52)58(14,15)16;1-30-26-39-43-40(27-30)54(36-22-16-32(17-23-36)49(5,6)7)45-38-29-34(51(11,12)13)19-25-42(38)56-47(45)52(43)46-44(37-28-33(50(8,9)10)18-24-41(37)55-46)53(39)35-20-14-31(15-21-35)48(2,3)4;1-30-28-39-41-40(29-30)54(34-26-22-32(23-27-34)49(5,6)7)43-36-17-15-19-38(51(11,12)13)45(36)56-47(43)52(41)46-42(35-16-14-18-37(44(35)55-46)50(8,9)10)53(39)33-24-20-31(21-25-33)48(2,3)4;1-26-24-33-37-34(25-26)46(30-22-18-28(19-23-30)43(5,6)7)39-32-13-9-11-15-36(32)48-41(39)44(37)40-38(31-12-8-10-14-35(31)47-40)45(33)29-20-16-27(17-21-29)42(2,3)4/h20-33H,1-19H3;2*14-29H,1-13H3;8-25H,1-7H3
InChIKeyMVUYDPUKSHVJPE-UHFFFAOYSA-N
MW2955.30 g/mol
LogP51.04
Rot. Bonds8

About 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene

11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene (PubChem CID 159686104) has the molecular formula C204H220B4N8O8 and a molecular weight of 2955.30 g/mol. Its IUPAC name is 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene.

Molecular Properties

Compound Name11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene
PubChem CID159686104
Molecular FormulaC204H220B4N8O8
Molecular Weight2955.30 g/mol
Exact Mass2953.74
IUPAC Name11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene
SMILESCc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4c(C(C)(C)C)cc(C(C)(C)C)cc14)B3c1oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4c(C(C)(C)C)cccc14)B3c1oc3c(C(C)(C)C)cccc3c1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4ccc(C(C)(C)C)cc14)B3c1oc3ccc(C(C)(C)C)cc3c1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4ccccc14)B3c1oc3ccccc3c1N2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C59H71BN2O2.2C51H55BN2O2.C43H39BN2O2/c1-34-28-45-47-46(29-34)62(40-26-22-36(23-27-40)55(5,6)7)49-42-31-38(57(11,12)13)33-44(59(17,18)19)51(42)64-53(49)60(47)52-48(61(45)39-24-20-35(21-25-39)54(2,3)4)41-30-37(56(8,9)10)32-43(50(41)63-52)58(14,15)16;1-30-26-39-43-40(27-30)54(36-22-16-32(17-23-36)49(5,6)7)45-38-29-34(51(11,12)13)19-25-42(38)56-47(45)52(43)46-44(37-28-33(50(8,9)10)18-24-41(37)55-46)53(39)35-20-14-31(15-21-35)48(2,3)4;1-30-28-39-41-40(29-30)54(34-26-22-32(23-27-34)49(5,6)7)43-36-17-15-19-38(51(11,12)13)45(36)56-47(43)52(41)46-42(35-16-14-18-37(44(35)55-46)50(8,9)10)53(39)33-24-20-31(21-25-33)48(2,3)4;1-26-24-33-37-34(25-26)46(30-22-18-28(19-23-30)43(5,6)7)39-32-13-9-11-15-36(32)48-41(39)44(37)40-38(31-12-8-10-14-35(31)47-40)45(33)29-20-16-27(17-21-29)42(2,3)4/h20-33H,1-19H3;2*14-29H,1-13H3;8-25H,1-7H3
InChIKeyMVUYDPUKSHVJPE-UHFFFAOYSA-N
XLogP51.04
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002955.30
LogP ≤ 551.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene?
The IUPAC name of 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene (CID 159686104) is 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene.
What is the SMILES notation for 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene?
The canonical SMILES for 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene is Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4c(C(C)(C)C)cc(C(C)(C)C)cc14)B3c1oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4c(C(C)(C)C)cccc14)B3c1oc3c(C(C)(C)C)cccc3c1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4ccc(C(C)(C)C)cc14)B3c1oc3ccc(C(C)(C)C)cc3c1N2c1ccc(C(C)(C)C)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1c(oc4ccccc14)B3c1oc3ccccc3c1N2c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene?
The InChIKey is MVUYDPUKSHVJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H71BN2O2.2C51H55BN2O2.C43H39BN2O2/c1-34-28-45-47-46(29-34)62(40-26-22-36(23-27-40)55(5,6)7)49-42-31-38(57(11,12)13)33-44(59(17,18)19)51(42)64-53(49)60(47)52-48(61(45)39-24-20-35(21-25-39)54(2,3)4)41-30-37(56(8,9)10)32-43(50(41)63-52)58(14,15)16;1-30-26-39-43-40(27-30)54(36-22-16-32(17-23-36)49(5,6)7)45-38-29-34(51(11,12)13)19-25-42(38)56-47(45)52(43)46-44(37-28-33(50(8,9)10)18-24-41(37)55-46)53(39)35-20-14-31(15-21-35)48(2,3)4;1-30-28-39-41-40(29-30)54(34-26-22-32(23-27-34)49(5,6)7)43-36-17-15-19-38(51(11,12)13)45(36)56-47(43)52(41)46-42(35-16-14-18-37(44(35)55-46)50(8,9)10)53(39)33-24-20-31(21-25-33)48(2,3)4;1-26-24-33-37-34(25-26)46(30-22-18-28(19-23-30)43(5,6)7)39-32-13-9-11-15-36(32)48-41(39)44(37)40-38(31-12-8-10-14-35(31)47-40)45(33)29-20-16-27(17-21-29)42(2,3)4/h20-33H,1-19H3;2*14-29H,1-13H3;8-25H,1-7H3.
What are the key properties of 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene?
11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene has a molecular weight of 2955.30 g/mol, XLogP of 51.04, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;5,23-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;7,21-ditert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene;5,7,21,23-tetratert-butyl-11,17-bis(4-tert-butylphenyl)-14-methyl-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12,14,16(27),18(26),19(24),20,22-undecaene is sourced from PubChem (CID 159686104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).