33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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

C285H199B6N13O5 — CID 165097626

IUPAC33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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
SMILESCC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2O4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2O4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2O4)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2O4)Oc2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C101H71B2N5O.C95H66B2N4O2.C89H62B2N4O2/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)84-59-88-74(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)75-58-79-90(60-89(75)102-88)103-91-56-67(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(91)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)58-49-79-86-80(50-58)94(61-35-15-7-16-36-61)77-55-83-69(53-73(77)90(86)71-44-24-27-47-76(71)93(79)60-33-13-6-14-34-60)89(67-42-22-19-40-65(67)66-41-20-23-43-68(66)89)70-54-74-78(56-84(70)97-83)95(62-37-17-8-18-38-62)81-51-63(52-85-87(81)91(74)72-45-25-28-48-82(72)96-85)92(59-31-11-5-12-32-59)75-46-26-21-39-64(75)57-29-9-4-10-30-57/h4-65H,1-3H3;4-60H,1-3H3;4-56H,1-3H3
InChIKeyXTWDBMJOVGVJTQ-UHFFFAOYSA-N
MW3950.68 g/mol
LogP62.24
Rot. Bonds24

About 33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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 165097626) has the molecular formula C285H199B6N13O5 and a molecular weight of 3950.68 g/mol. Its IUPAC name is 33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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 Name33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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 CID165097626
Molecular FormulaC285H199B6N13O5
Molecular Weight3950.68 g/mol
Exact Mass3948.63
IUPAC Name33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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
SMILESCC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2O4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2O4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2O4)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2O4)Oc2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C101H71B2N5O.C95H66B2N4O2.C89H62B2N4O2/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)84-59-88-74(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)75-58-79-90(60-89(75)102-88)103-91-56-67(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(91)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)58-49-79-86-80(50-58)94(61-35-15-7-16-36-61)77-55-83-69(53-73(77)90(86)71-44-24-27-47-76(71)93(79)60-33-13-6-14-34-60)89(67-42-22-19-40-65(67)66-41-20-23-43-68(66)89)70-54-74-78(56-84(70)97-83)95(62-37-17-8-18-38-62)81-51-63(52-85-87(81)91(74)72-45-25-28-48-82(72)96-85)92(59-31-11-5-12-32-59)75-46-26-21-39-64(75)57-29-9-4-10-30-57/h4-65H,1-3H3;4-60H,1-3H3;4-56H,1-3H3
InChIKeyXTWDBMJOVGVJTQ-UHFFFAOYSA-N
XLogP62.24
TPSA88.27 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms309
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003950.68
LogP ≤ 562.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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 165097626) is 33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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(cc2O4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2O4)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2O4)c2ccccc2-c2ccccc21.CC(C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)C1(c2cc3c(cc2O4)Oc2cc(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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 XTWDBMJOVGVJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H71B2N5O.C95H66B2N4O2.C89H62B2N4O2/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)84-59-88-74(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)75-58-79-90(60-89(75)102-88)103-91-56-67(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(91)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)58-49-79-86-80(50-58)94(61-35-15-7-16-36-61)77-55-83-69(53-73(77)90(86)71-44-24-27-47-76(71)93(79)60-33-13-6-14-34-60)89(67-42-22-19-40-65(67)66-41-20-23-43-68(66)89)70-54-74-78(56-84(70)97-83)95(62-37-17-8-18-38-62)81-51-63(52-85-87(81)91(74)72-45-25-28-48-82(72)96-85)92(59-31-11-5-12-32-59)75-46-26-21-39-64(75)57-29-9-4-10-30-57/h4-65H,1-3H3;4-60H,1-3H3;4-56H,1-3H3.
What are the key properties of 33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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 3950.68 g/mol, XLogP of 62.24, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 33-tert-butyl-N,22,30,36-tetraphenyl-N,16-bis(2-phenylphenyl)spiro[26-oxa-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-(2-phenylphenyl)spiro[16,26-dioxa-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[22,26-dioxa-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 165097626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).