N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine

C192H176B3N9O2S3 — CID 174007380

IUPACN-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)CCC(C)(C)c3ccc4c(c3)N(c3cccc5oc6ccccc6c35)c3cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)CCC(C)(C)c6ccc7c(c6)N(c6cccc8c6oc6ccccc68)c6cc(N(c8ccc(C(C)(C)C)cc8)c8ccc(C(C)(C)C)cc8)cc8c6B7c6cccc7c9c%10ccccc%10sc9n-8c67)cc5)cc5c3B4c3cccc4c6c7ccccc7sc6n-5c34)cc2)c2cc3c4c(c2)-n2c5sc6ccccc6c5c5cccc(c52)B4c2cc4c(cc2N3c2ccc3c(c2)C(C)(C)CCC3(C)C)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C192H176B3N9O2S3/c1-181(2,3)113-64-78-121(79-65-113)196(122-80-66-114(67-81-122)182(4,5)6)130-107-157-173-160(110-130)204-175-138(168-135-47-32-37-62-165(135)209-180(168)204)51-40-54-147(175)194(173)145-93-77-120(103-153(145)201(157)151-57-42-49-132-131-44-29-34-58-161(131)206-177(132)151)188(19,20)97-95-186(15,16)118-74-88-126(89-75-118)198(124-84-70-116(71-85-124)184(10,11)12)129-106-156-172-159(109-129)203-174-137(167-134-46-31-36-61-164(134)208-179(167)203)50-39-53-146(174)193(172)144-92-76-119(102-152(144)200(156)150-56-43-60-163-170(150)133-45-30-35-59-162(133)205-163)187(17,18)96-94-185(13,14)117-72-86-125(87-73-117)197(123-82-68-115(69-83-123)183(7,8)9)128-105-155-171-158(108-128)202-176-139(169-136-48-33-38-63-166(136)207-178(169)202)52-41-55-148(176)195(171)149-111-142-143(192(27,28)101-100-191(142,25)26)112-154(149)199(155)127-90-91-140-141(104-127)190(23,24)99-98-189(140,21)22/h29-93,102-112H,94-101H2,1-28H3
InChIKeyXXJVIHRUNQZWJA-UHFFFAOYSA-N
MW2770.22 g/mol
LogP48.63
Rot. Bonds22

About N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine

N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine (PubChem CID 174007380) has the molecular formula C192H176B3N9O2S3 and a molecular weight of 2770.22 g/mol. Its IUPAC name is N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine.

Molecular Properties

Compound NameN-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine
PubChem CID174007380
Molecular FormulaC192H176B3N9O2S3
Molecular Weight2770.22 g/mol
Exact Mass2768.34
IUPAC NameN-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)CCC(C)(C)c3ccc4c(c3)N(c3cccc5oc6ccccc6c35)c3cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)CCC(C)(C)c6ccc7c(c6)N(c6cccc8c6oc6ccccc68)c6cc(N(c8ccc(C(C)(C)C)cc8)c8ccc(C(C)(C)C)cc8)cc8c6B7c6cccc7c9c%10ccccc%10sc9n-8c67)cc5)cc5c3B4c3cccc4c6c7ccccc7sc6n-5c34)cc2)c2cc3c4c(c2)-n2c5sc6ccccc6c5c5cccc(c52)B4c2cc4c(cc2N3c2ccc3c(c2)C(C)(C)CCC3(C)C)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C192H176B3N9O2S3/c1-181(2,3)113-64-78-121(79-65-113)196(122-80-66-114(67-81-122)182(4,5)6)130-107-157-173-160(110-130)204-175-138(168-135-47-32-37-62-165(135)209-180(168)204)51-40-54-147(175)194(173)145-93-77-120(103-153(145)201(157)151-57-42-49-132-131-44-29-34-58-161(131)206-177(132)151)188(19,20)97-95-186(15,16)118-74-88-126(89-75-118)198(124-84-70-116(71-85-124)184(10,11)12)129-106-156-172-159(109-129)203-174-137(167-134-46-31-36-61-164(134)208-179(167)203)50-39-53-146(174)193(172)144-92-76-119(102-152(144)200(156)150-56-43-60-163-170(150)133-45-30-35-59-162(133)205-163)187(17,18)96-94-185(13,14)117-72-86-125(87-73-117)197(123-82-68-115(69-83-123)183(7,8)9)128-105-155-171-158(108-128)202-176-139(169-136-48-33-38-63-166(136)207-178(169)202)52-41-55-148(176)195(171)149-111-142-143(192(27,28)101-100-191(142,25)26)112-154(149)199(155)127-90-91-140-141(104-127)190(23,24)99-98-189(140,21)22/h29-93,102-112H,94-101H2,1-28H3
InChIKeyXXJVIHRUNQZWJA-UHFFFAOYSA-N
XLogP48.63
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002770.22
LogP ≤ 548.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine?
The IUPAC name of N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine (CID 174007380) is N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine.
What is the SMILES notation for N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine?
The canonical SMILES for N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)CCC(C)(C)c3ccc4c(c3)N(c3cccc5oc6ccccc6c35)c3cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)CCC(C)(C)c6ccc7c(c6)N(c6cccc8c6oc6ccccc68)c6cc(N(c8ccc(C(C)(C)C)cc8)c8ccc(C(C)(C)C)cc8)cc8c6B7c6cccc7c9c%10ccccc%10sc9n-8c67)cc5)cc5c3B4c3cccc4c6c7ccccc7sc6n-5c34)cc2)c2cc3c4c(c2)-n2c5sc6ccccc6c5c5cccc(c52)B4c2cc4c(cc2N3c2ccc3c(c2)C(C)(C)CCC3(C)C)C(C)(C)CCC4(C)C)cc1.
What is the InChIKey of N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine?
The InChIKey is XXJVIHRUNQZWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C192H176B3N9O2S3/c1-181(2,3)113-64-78-121(79-65-113)196(122-80-66-114(67-81-122)182(4,5)6)130-107-157-173-160(110-130)204-175-138(168-135-47-32-37-62-165(135)209-180(168)204)51-40-54-147(175)194(173)145-93-77-120(103-153(145)201(157)151-57-42-49-132-131-44-29-34-58-161(131)206-177(132)151)188(19,20)97-95-186(15,16)118-74-88-126(89-75-118)198(124-84-70-116(71-85-124)184(10,11)12)129-106-156-172-159(109-129)203-174-137(167-134-46-31-36-61-164(134)208-179(167)203)50-39-53-146(174)193(172)144-92-76-119(102-152(144)200(156)150-56-43-60-163-170(150)133-45-30-35-59-162(133)205-163)187(17,18)96-94-185(13,14)117-72-86-125(87-73-117)197(123-82-68-115(69-83-123)183(7,8)9)128-105-155-171-158(108-128)202-176-139(169-136-48-33-38-63-166(136)207-178(169)202)52-41-55-148(176)195(171)149-111-142-143(192(27,28)101-100-191(142,25)26)112-154(149)199(155)127-90-91-140-141(104-127)190(23,24)99-98-189(140,21)22/h29-93,102-112H,94-101H2,1-28H3.
What are the key properties of N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine?
N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine has a molecular weight of 2770.22 g/mol, XLogP of 48.63, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[12-(4-tert-butyl-N-[4-[5-[12-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-dibenzofuran-4-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]anilino)-9-dibenzofuran-1-yl-17-thia-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaen-6-yl]-2,5-dimethylhexan-2-yl]phenyl]-N-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-thia-2,28-diaza-17-boranonacyclo[15.15.1.12,12.03,11.05,10.018,27.020,25.029,33.016,34]tetratriaconta-1(33),3(11),5,7,9,12,14,16(34),18,20(25),26,29,31-tridecaen-31-amine is sourced from PubChem (CID 174007380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).