About 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene
15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene (PubChem CID 174044801) has the molecular formula C201H243B3N6O3
and a molecular weight of 2823.63 g/mol. Its IUPAC name is 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene.
Frequently Asked Questions
What is the IUPAC name of 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene?
The IUPAC name of 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene (CID 174044801) is 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene.
What is the SMILES notation for 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene?
The canonical SMILES for 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene is Cc1cc(C(C)(C)C)ccc1N1c2cc3c(cc2B2c4c1cc(C(C)(C)CCC1(C)CCC(C)(C)c5cc6oc7c(c6cc51)B1c5cc6c(cc5N(c5c(C)cc(C(C)(C)C)cc5C)c5cc(C(C)(C)C)cc(c51)N7c1ccc5c(c1)C(C)(C)CCC5(C)C)C(C)(C)CCC6(C)C)cc4N(c1ccc4c(c1)C(C)(C)CCC4(C)C)c1oc4cc5c(cc4c12)C(C)(CCC(C)(C)c1cc2c4c(c1)N(c1ccc6c(c1)C(C)(C)CCC6(C)C)c1oc6cc7c(cc6c1B4c1cc4c(cc1N2c1ccc(C(C)(C)C)cc1-c1ccccc1)C(C)(C)CCC4(C)C)C(C)(C)CCC7(C)C)CCC5(C)C)C(C)(C)CCC3(C)C.
What is the InChIKey of 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene?
The InChIKey is WLCGHOWXPXSCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C201H243B3N6O3/c1-116-91-120(178(4,5)6)59-67-154(116)208-156-110-143-140(191(34,35)76-79-194(143,40)41)107-151(156)202-169-131-105-149-147(198(48,49)86-90-201(149,53)88-84-183(18,19)125-98-161-172-163(100-125)209(155-68-60-121(179(7,8)9)94-129(155)119-57-55-54-56-58-119)157-111-144-141(192(36,37)77-80-195(144,42)43)108-152(157)203(172)168-130-104-139-146(197(46,47)82-75-190(139,32)33)113-165(130)211-175(168)207(161)128-63-66-135-138(103-128)189(30,31)74-71-186(135,24)25)114-166(131)213-177(169)206(127-62-65-134-137(102-127)188(28,29)73-70-185(134,22)23)160-97-124(99-162(208)171(160)202)182(16,17)83-87-200(52)89-85-199(50,51)148-115-167-132(106-150(148)200)170-176(212-167)205(126-61-64-133-136(101-126)187(26,27)72-69-184(133,20)21)159-95-123(181(13,14)15)96-164-173(159)204(170)153-109-142-145(196(44,45)81-78-193(142,38)39)112-158(153)210(164)174-117(2)92-122(93-118(174)3)180(10,11)12/h54-68,91-115H,69-90H2,1-53H3.
What are the key properties of 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene?
15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene has a molecular weight of 2823.63 g/mol, XLogP of 50.57, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tert-butyl-12-(4-tert-butyl-2,6-dimethylphenyl)-27-[3-[12-(4-tert-butyl-2-methylphenyl)-27-[3-[12-(4-tert-butyl-2-phenylphenyl)-5,5,8,8,24,24,27,27-octamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaen-15-yl]-3-methylbutyl]-5,5,8,8,24,24,27-heptamethyl-18-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-oxa-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.04,9.013,32.019,31.021,30.023,28]dotriaconta-2,4(9),10,13,15,17(32),19(31),21,23(28),29-decaene is sourced from PubChem (CID 174044801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).