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;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

C246H175B4N13O6 — CID 163883169

IUPAC5-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;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
SMILESCC1(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)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H45BN4O.C63H46BN3O2.C60H42BN3O.C57H42BN3O2/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/h1-45H;3-42H,1-2H3;1-42H;3-38H,1-2H3
InChIKeyPVAZYYLJESSJDD-UHFFFAOYSA-N
MW3452.44 g/mol
LogP58.75
Rot. Bonds33

About 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;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

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;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 163883169) has the molecular formula C246H175B4N13O6 and a molecular weight of 3452.44 g/mol. Its IUPAC name is 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;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 Name5-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;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 CID163883169
Molecular FormulaC246H175B4N13O6
Molecular Weight3452.44 g/mol
Exact Mass3450.42
IUPAC Name5-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;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
SMILESCC1(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)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C66H45BN4O.C63H46BN3O2.C60H42BN3O.C57H42BN3O2/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/h1-45H;3-42H,1-2H3;1-42H;3-38H,1-2H3
InChIKeyPVAZYYLJESSJDD-UHFFFAOYSA-N
XLogP58.75
TPSA99.19 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms269
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003452.44
LogP ≤ 558.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;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 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;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 163883169) is 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;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 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;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 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;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)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cccc5c3B4c3ccc(N(c4ccccc4)c4ccccc4)cc3N5c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 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;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 PVAZYYLJESSJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45BN4O.C63H46BN3O2.C60H42BN3O.C57H42BN3O2/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/h1-45H;3-42H,1-2H3;1-42H;3-38H,1-2H3.
What are the key properties of 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;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?
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;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 3452.44 g/mol, XLogP of 58.75, 33 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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 163883169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).