N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine

C358H247B6N17O9 — CID 160649654

About N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine

N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine (PubChem CID 160649654) has the molecular formula C358H247B6N17O9 and a molecular weight of 4995.90 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine.

Molecular Properties

• Compound Name: N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine
• PubChem CID: 160649654
• Molecular Formula: C358H247B6N17O9
• Molecular Weight: 4995.90 g/mol
• Exact Mass: 4993.00
• IUPAC Name: N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine
• SMILES: CC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)ccc21.CC1(C)c2ccccc2Oc2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3cccc5c3B4c3c(c4ccccc4c4ccccc34)N5c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3B4c3c(c4ccccc4c4ccccc34)N5c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C66H45BN4O.C63H46BN3O2.C60H42BN3O.C57H42BN3O2.C56H35BN2O2.C56H37BN2O/c1-6-19-46(20-7-1)47-33-35-52(36-34-47)69(53-39-42-61-57(43-53)56-29-16-17-30-60(56)70(61)50-25-12-4-13-26-50)55-38-41-59-65(45-55)72-64-32-18-31-62-66(64)67(59)58-40-37-54(44-63(58)71(62)51-27-14-5-15-28-51)68(48-21-8-2-9-22-48)49-23-10-3-11-24-49;1-63(2)52-26-15-16-28-58(52)68-59-39-36-49(40-53(59)63)66(48-32-30-44(31-33-48)43-18-7-3-8-19-43)51-35-38-55-61(42-51)69-60-29-17-27-56-62(60)64(55)54-37-34-50(41-57(54)67(56)47-24-13-6-14-25-47)65(45-20-9-4-10-21-45)46-22-11-5-12-23-46;1-6-17-43(18-7-1)45-29-33-50(34-30-45)63(51-35-31-46(32-36-51)44-19-8-2-9-20-44)53-38-40-55-59(42-53)65-58-28-16-27-56-60(58)61(55)54-39-37-52(41-57(54)64(56)49-25-14-5-15-26-49)62(47-21-10-3-11-22-47)48-23-12-4-13-24-48;1-57(2)46-26-15-16-28-52(46)62-54-37-44(30-33-47(54)57)60(41-22-11-5-12-23-41)45-32-35-49-55(38-45)63-53-29-17-27-50-56(53)58(49)48-34-31-43(36-51(48)61(50)42-24-13-6-14-25-42)59(39-18-7-3-8-19-39)40-20-9-4-10-21-40;1-3-14-36(15-4-1)37-26-28-39(29-27-37)58(40-31-33-51-47(34-40)44-20-11-12-24-50(44)60-51)41-30-32-48-53(35-41)61-52-25-13-23-49-55(52)57(48)54-45-21-9-7-18-42(45)43-19-8-10-22-46(43)56(54)59(49)38-16-5-2-6-17-38;1-4-15-38(16-5-1)40-27-31-43(32-28-40)58(44-33-29-41(30-34-44)39-17-6-2-7-18-39)45-35-36-50-53(37-45)60-52-26-14-25-51-55(52)57(50)54-48-23-12-10-21-46(48)47-22-11-13-24-49(47)56(54)59(51)42-19-8-3-9-20-42/h1-45H;3-42H,1-2H3;1-42H;3-38H,1-2H3;1-35H;1-37H
• InChIKey: RKGFDTMWBDXVEH-UHFFFAOYSA-N
• XLogP: 85.39
• TPSA: 143.75 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 44
• Heavy Atoms: 390
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4995.90
LogP ≤ 5	85.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

The IUPAC name of N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine (CID 160649654) is N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine.

What is the SMILES notation for N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

The canonical SMILES for N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine is CC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)ccc21.CC1(C)c2ccccc2Oc2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3cccc5c3B4c3c(c4ccccc4c4ccccc34)N5c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3B4c3c(c4ccccc4c4ccccc34)N5c3ccccc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.

What is the InChIKey of N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

The InChIKey is RKGFDTMWBDXVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45BN4O.C63H46BN3O2.C60H42BN3O.C57H42BN3O2.C56H35BN2O2.C56H37BN2O/c1-6-19-46(20-7-1)47-33-35-52(36-34-47)69(53-39-42-61-57(43-53)56-29-16-17-30-60(56)70(61)50-25-12-4-13-26-50)55-38-41-59-65(45-55)72-64-32-18-31-62-66(64)67(59)58-40-37-54(44-63(58)71(62)51-27-14-5-15-28-51)68(48-21-8-2-9-22-48)49-23-10-3-11-24-49;1-63(2)52-26-15-16-28-58(52)68-59-39-36-49(40-53(59)63)66(48-32-30-44(31-33-48)43-18-7-3-8-19-43)51-35-38-55-61(42-51)69-60-29-17-27-56-62(60)64(55)54-37-34-50(41-57(54)67(56)47-24-13-6-14-25-47)65(45-20-9-4-10-21-45)46-22-11-5-12-23-46;1-6-17-43(18-7-1)45-29-33-50(34-30-45)63(51-35-31-46(32-36-51)44-19-8-2-9-20-44)53-38-40-55-59(42-53)65-58-28-16-27-56-60(58)61(55)54-39-37-52(41-57(54)64(56)49-25-14-5-15-26-49)62(47-21-10-3-11-22-47)48-23-12-4-13-24-48;1-57(2)46-26-15-16-28-52(46)62-54-37-44(30-33-47(54)57)60(41-22-11-5-12-23-41)45-32-35-49-55(38-45)63-53-29-17-27-50-56(53)58(49)48-34-31-43(36-51(48)61(50)42-24-13-6-14-25-42)59(39-18-7-3-8-19-39)40-20-9-4-10-21-40;1-3-14-36(15-4-1)37-26-28-39(29-27-37)58(40-31-33-51-47(34-40)44-20-11-12-24-50(44)60-51)41-30-32-48-53(35-41)61-52-25-13-23-49-55(52)57(48)54-45-21-9-7-18-42(45)43-19-8-10-22-46(43)56(54)59(49)38-16-5-2-6-17-38;1-4-15-38(16-5-1)40-27-31-43(32-28-40)58(44-33-29-41(30-34-44)39-17-6-2-7-18-39)45-35-36-50-53(37-45)60-52-26-14-25-51-55(52)57(50)54-48-23-12-10-21-46(48)47-22-11-13-24-49(47)56(54)59(51)42-19-8-3-9-20-42/h1-45H;3-42H,1-2H3;1-42H;3-38H,1-2H3;1-35H;1-37H.

What are the key properties of N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine has a molecular weight of 4995.90 g/mol, XLogP of 85.39, 44 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-2-yl-16-phenyl-N-(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;5-N-(9,9-dimethylxanthen-3-yl)-5-N,17-N,17-N,14-tetraphenyl-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;5-N-(9,9-dimethylxanthen-2-yl)-17-N,17-N,14-triphenyl-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;16-phenyl-N,N-bis(4-phenylphenyl)-22-oxa-16-aza-1-boraheptacyclo[15.11.1.02,15.03,8.09,14.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23(28),24,26-tridecaen-25-amine;17-N,17-N,14-triphenyl-5-N,5-N-bis(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine;17-N,17-N,14-triphenyl-5-N-(9-phenylcarbazol-3-yl)-5-N-(4-phenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine is sourced from PubChem (CID 160649654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).