33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine

C368H257B8N17O3S4 — CID 165034022

About 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine

33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine (PubChem CID 165034022) has the molecular formula C368H257B8N17O3S4 and a molecular weight of 5179.98 g/mol. Its IUPAC name is 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine.

Molecular Properties

• Compound Name: 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine
• PubChem CID: 165034022
• Molecular Formula: C368H257B8N17O3S4
• Molecular Weight: 5179.98 g/mol
• Exact Mass: 5177.01
• IUPAC Name: 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine
• SMILES: CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2S4)N(c2ccccc2)c2cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc4c2B3c2ccccc2O4)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2S4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccccc2O4)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2S4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2S4)Oc2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C101H71B2N5S.C95H66B2N4OS.C89H62B2N4OS.C83H58B2N4OS/c1-100(2,3)68-58-92-98-93(59-68)106(71-42-18-8-19-43-71)90-64-96-80(62-84(90)102(98)82-52-28-32-56-88(82)105(92)70-40-16-7-17-41-70)101(78-50-26-22-48-76(78)77-49-23-27-51-79(77)101)81-63-85-91(65-97(81)109-96)107(72-44-20-9-21-45-72)94-60-73(104(69-38-14-6-15-39-69)86-54-30-24-46-74(86)66-34-10-4-11-35-66)61-95-99(94)103(85)83-53-29-33-57-89(83)108(95)87-55-31-25-47-75(87)67-36-12-5-13-37-67;1-94(2,3)63-53-85-92-86(54-63)100(66-39-17-8-18-40-66)84-59-90-74(57-78(84)96(92)76-47-25-29-51-82(76)99(85)65-37-15-7-16-38-65)95(72-45-23-19-43-70(72)71-44-20-24-46-73(71)95)75-58-79-88(60-91(75)103-90)102-89-56-67(98(64-35-13-6-14-36-64)80-49-27-21-41-68(80)61-31-9-4-10-32-61)55-87-93(89)97(79)77-48-26-30-52-83(77)101(87)81-50-28-22-42-69(81)62-33-11-5-12-34-62;1-88(2,3)59-49-79-86-80(50-59)94(62-35-15-7-16-36-62)77-55-84-70(53-74(77)90(86)72-44-23-25-46-76(72)93(79)61-33-13-6-14-34-61)89(68-42-21-19-40-66(68)67-41-20-22-43-69(67)89)71-54-75-78(56-85(71)97-84)95(63-37-17-8-18-38-63)81-51-65(52-83-87(81)91(75)73-45-24-26-47-82(73)96-83)92(60-31-11-5-12-32-60)64-39-27-30-58(48-64)57-28-9-4-10-29-57;1-82(2,3)53-45-73-80-74(46-53)88(57-33-15-7-16-34-57)71-51-78-64(49-68(71)84(80)66-41-23-25-43-70(66)87(73)56-31-13-6-14-32-56)83(62-39-21-19-37-60(62)61-38-20-22-40-63(61)83)65-50-69-72(52-79(65)91-78)89(58-35-17-8-18-36-58)75-47-59(48-77-81(75)85(69)67-42-24-26-44-76(67)90-77)86(54-27-9-4-10-28-54)55-29-11-5-12-30-55/h4-65H,1-3H3;4-60H,1-3H3;4-56H,1-3H3;4-52H,1-3H3
• InChIKey: NCHUKQAHDHWFBF-UHFFFAOYSA-N
• XLogP: 81.09
• TPSA: 82.77 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 400
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5179.98
LogP ≤ 5	81.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine?

The IUPAC name of 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine (CID 165034022) is 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine.

What is the SMILES notation for 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine?

The canonical SMILES for 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine is CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2S4)N(c2ccccc2)c2cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc4c2B3c2ccccc2O4)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2S4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccccc2O4)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2S4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2S4)Oc2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21.

What is the InChIKey of 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine?

The InChIKey is NCHUKQAHDHWFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H71B2N5S.C95H66B2N4OS.C89H62B2N4OS.C83H58B2N4OS/c1-100(2,3)68-58-92-98-93(59-68)106(71-42-18-8-19-43-71)90-64-96-80(62-84(90)102(98)82-52-28-32-56-88(82)105(92)70-40-16-7-17-41-70)101(78-50-26-22-48-76(78)77-49-23-27-51-79(77)101)81-63-85-91(65-97(81)109-96)107(72-44-20-9-21-45-72)94-60-73(104(69-38-14-6-15-39-69)86-54-30-24-46-74(86)66-34-10-4-11-35-66)61-95-99(94)103(85)83-53-29-33-57-89(83)108(95)87-55-31-25-47-75(87)67-36-12-5-13-37-67;1-94(2,3)63-53-85-92-86(54-63)100(66-39-17-8-18-40-66)84-59-90-74(57-78(84)96(92)76-47-25-29-51-82(76)99(85)65-37-15-7-16-38-65)95(72-45-23-19-43-70(72)71-44-20-24-46-73(71)95)75-58-79-88(60-91(75)103-90)102-89-56-67(98(64-35-13-6-14-36-64)80-49-27-21-41-68(80)61-31-9-4-10-32-61)55-87-93(89)97(79)77-48-26-30-52-83(77)101(87)81-50-28-22-42-69(81)62-33-11-5-12-34-62;1-88(2,3)59-49-79-86-80(50-59)94(62-35-15-7-16-36-62)77-55-84-70(53-74(77)90(86)72-44-23-25-46-76(72)93(79)61-33-13-6-14-34-61)89(68-42-21-19-40-66(68)67-41-20-22-43-69(67)89)71-54-75-78(56-85(71)97-84)95(63-37-17-8-18-38-63)81-51-65(52-83-87(81)91(75)73-45-24-26-47-82(73)96-83)92(60-31-11-5-12-32-60)64-39-27-30-58(48-64)57-28-9-4-10-29-57;1-82(2,3)53-45-73-80-74(46-53)88(57-33-15-7-16-34-57)71-51-78-64(49-68(71)84(80)66-41-23-25-43-70(66)87(73)56-31-13-6-14-32-56)83(62-39-21-19-37-60(62)61-38-20-22-40-63(61)83)65-50-69-72(52-79(65)91-78)89(58-35-17-8-18-36-58)75-47-59(48-77-81(75)85(69)67-42-24-26-44-76(67)90-77)86(54-27-9-4-10-28-54)55-29-11-5-12-30-55/h4-65H,1-3H3;4-60H,1-3H3;4-56H,1-3H3;4-52H,1-3H3.

What are the key properties of 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine?

33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine has a molecular weight of 5179.98 g/mol, XLogP of 81.09, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 33-tert-butyl-N,N,22,30,36-pentakis-phenylspiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-thia-16,22,30,36-tetraza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,22,30,36-tetraphenyl-N-(3-phenylphenyl)spiro[16-oxa-26-thia-22,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17,19,21(44),23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,30,36-triphenyl-N,16-bis(2-phenylphenyl)spiro[22-oxa-26-thia-16,30,36-triaza-1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine is sourced from PubChem (CID 165034022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).