33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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

C380H270B8N22O2 — CID 164969373

About 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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 (PubChem CID 164969373) has the molecular formula C380H270B8N22O2 and a molecular weight of 5262.99 g/mol. Its IUPAC name is 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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.

Molecular Properties

• Compound Name: 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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
• PubChem CID: 164969373
• Molecular Formula: C380H270B8N22O2
• Molecular Weight: 5262.99 g/mol
• Exact Mass: 5260.24
• IUPAC Name: 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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
• SMILES: CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1N4c1ccccc1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccccc1N3c1ccccc1.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1N4c1ccccc1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccccc1O3.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1N4c1ccccc1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3-c3ccccc3)cc3c1B2c1ccccc1N3c1ccccc1-c1ccccc1.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1N4c1ccccc1)Oc1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccccc1N3c1ccccc1
• InChI: InChI=1S/C107H76B2N6.C95H68B2N6.2C89H63B2N5O/c1-106(2,3)73-63-100-104-101(64-73)113(77-47-21-9-22-48-77)98-69-96-86(67-90(98)108(104)88-57-31-35-61-94(88)111(100)75-43-17-7-18-44-75)107(84-55-29-25-53-82(84)83-54-26-30-56-85(83)107)87-68-91-99(70-97(87)112(96)76-45-19-8-20-46-76)114(78-49-23-10-24-50-78)102-65-79(110(74-41-15-6-16-42-74)92-59-33-27-51-80(92)71-37-11-4-12-38-71)66-103-105(102)109(91)89-58-32-36-62-95(89)115(103)93-60-34-28-52-81(93)72-39-13-5-14-40-72;1-94(2,3)63-55-88-92-89(56-63)102(69-43-21-9-22-44-69)86-61-84-76(59-80(86)96(92)78-51-29-31-53-82(78)99(88)66-37-15-6-16-38-66)95(74-49-27-25-47-72(74)73-48-26-28-50-75(73)95)77-60-81-87(62-85(77)101(84)68-41-19-8-20-42-68)103(70-45-23-10-24-46-70)91-58-71(98(64-33-11-4-12-34-64)65-35-13-5-14-36-65)57-90-93(91)97(81)79-52-30-32-54-83(79)100(90)67-39-17-7-18-40-67;1-88(2,3)58-50-81-86-82(51-58)95(63-38-18-8-19-39-63)79-56-77-70(54-74(79)90(86)72-46-26-28-48-76(72)93(81)61-34-14-6-15-35-61)89(68-44-24-22-42-66(68)67-43-23-25-45-69(67)89)71-55-75-80(57-78(71)94(77)62-36-16-7-17-37-62)96(64-40-20-9-21-41-64)83-52-65(53-85-87(83)91(75)73-47-27-29-49-84(73)97-85)92(59-30-10-4-11-31-59)60-32-12-5-13-33-60;1-88(2,3)58-50-81-86-82(51-58)96(64-40-20-9-21-41-64)80-56-78-70(54-74(80)90(86)72-46-26-28-48-76(72)93(81)61-34-14-6-15-35-61)89(68-44-24-22-42-66(68)67-43-23-25-45-69(67)89)71-55-75-84(57-79(71)95(78)63-38-18-8-19-39-63)97-85-53-65(92(59-30-10-4-11-31-59)60-32-12-5-13-33-60)52-83-87(85)91(75)73-47-27-29-49-77(73)94(83)62-36-16-7-17-37-62/h4-70H,1-3H3;4-62H,1-3H3;2*4-57H,1-3H3
• InChIKey: CXKZSNURJQWADC-UHFFFAOYSA-N
• XLogP: 83.04
• TPSA: 89.74 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 412
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5262.99
LogP ≤ 5	83.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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?

The IUPAC name of 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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 (CID 164969373) is 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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.

What is the SMILES notation for 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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?

The canonical SMILES for 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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 is CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1N4c1ccccc1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccccc1N3c1ccccc1.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1N4c1ccccc1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccccc1O3.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1N4c1ccccc1)N(c1ccccc1)c1cc(N(c3ccccc3)c3ccccc3-c3ccccc3)cc3c1B2c1ccccc1N3c1ccccc1-c1ccccc1.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2ccccc2-c2ccccc21)c1cc2c(cc1N4c1ccccc1)Oc1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1ccccc1N3c1ccccc1.

What is the InChIKey of 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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?

The InChIKey is CXKZSNURJQWADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H76B2N6.C95H68B2N6.2C89H63B2N5O/c1-106(2,3)73-63-100-104-101(64-73)113(77-47-21-9-22-48-77)98-69-96-86(67-90(98)108(104)88-57-31-35-61-94(88)111(100)75-43-17-7-18-44-75)107(84-55-29-25-53-82(84)83-54-26-30-56-85(83)107)87-68-91-99(70-97(87)112(96)76-45-19-8-20-46-76)114(78-49-23-10-24-50-78)102-65-79(110(74-41-15-6-16-42-74)92-59-33-27-51-80(92)71-37-11-4-12-38-71)66-103-105(102)109(91)89-58-32-36-62-95(89)115(103)93-60-34-28-52-81(93)72-39-13-5-14-40-72;1-94(2,3)63-55-88-92-89(56-63)102(69-43-21-9-22-44-69)86-61-84-76(59-80(86)96(92)78-51-29-31-53-82(78)99(88)66-37-15-6-16-38-66)95(74-49-27-25-47-72(74)73-48-26-28-50-75(73)95)77-60-81-87(62-85(77)101(84)68-41-19-8-20-42-68)103(70-45-23-10-24-46-70)91-58-71(98(64-33-11-4-12-34-64)65-35-13-5-14-36-65)57-90-93(91)97(81)79-52-30-32-54-83(79)100(90)67-39-17-7-18-40-67;1-88(2,3)58-50-81-86-82(51-58)95(63-38-18-8-19-39-63)79-56-77-70(54-74(79)90(86)72-46-26-28-48-76(72)93(81)61-34-14-6-15-35-61)89(68-44-24-22-42-66(68)67-43-23-25-45-69(67)89)71-55-75-80(57-78(71)94(77)62-36-16-7-17-37-62)96(64-40-20-9-21-41-64)83-52-65(53-85-87(83)91(75)73-47-27-29-49-84(73)97-85)92(59-30-10-4-11-31-59)60-32-12-5-13-33-60;1-88(2,3)58-50-81-86-82(51-58)96(64-40-20-9-21-41-64)80-56-78-70(54-74(80)90(86)72-46-26-28-48-76(72)93(81)61-34-14-6-15-35-61)89(68-44-24-22-42-66(68)67-43-23-25-45-69(67)89)71-55-75-84(57-79(71)95(78)63-38-18-8-19-39-63)97-85-53-65(92(59-30-10-4-11-31-59)60-32-12-5-13-33-60)52-83-87(85)91(75)73-47-27-29-49-77(73)94(83)62-36-16-7-17-37-62/h4-70H,1-3H3;4-62H,1-3H3;2*4-57H,1-3H3.

What are the key properties of 33-tert-butyl-N,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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,N,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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 has a molecular weight of 5262.99 g/mol, XLogP of 83.04, 32 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,16,22,26,30,36-heptakis-phenylspiro[16,22,26,30,36-pentaza-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,16,26,30,36-hexakis-phenylspiro[22-oxa-16,26,30,36-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(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]-19-amine;33-tert-butyl-N,N,22,26,30,36-hexakis-phenylspiro[16-oxa-22,26,30,36-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,22,26,30,36-pentakis-phenyl-N,16-bis(2-phenylphenyl)spiro[16,22,26,30,36-pentaza-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 is sourced from PubChem (CID 164969373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).