N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

C227H158B4N4O12 — CID 161483695

IUPACN-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
SMILESCC(C)(C)c1ccc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.CC(C)c1ccc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.Cc1cc(C)cc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)c1.Cc1ccc(C)c(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C58H42BNO3.C57H40BNO3.2C56H38BNO3/c1-58(2,3)42-27-29-43(30-28-42)60(50-24-14-23-47-46-22-13-21-45(56(46)63-57(47)50)39-19-11-6-12-20-39)44-35-53-55-54(36-44)62-52-34-41(38-17-9-5-10-18-38)26-32-49(52)59(55)48-31-25-40(33-51(48)61-53)37-15-7-4-8-16-37;1-36(2)37-24-28-43(29-25-37)59(50-23-13-22-47-46-21-12-20-45(56(46)62-57(47)50)40-18-10-5-11-19-40)44-34-53-55-54(35-44)61-52-33-42(39-16-8-4-9-17-39)27-31-49(52)58(55)48-30-26-41(32-51(48)60-53)38-14-6-3-7-15-38;1-35-28-36(2)30-42(29-35)58(49-23-13-22-46-45-21-12-20-44(55(45)61-56(46)49)39-18-10-5-11-19-39)43-33-52-54-53(34-43)60-51-32-41(38-16-8-4-9-17-38)25-27-48(51)57(54)47-26-24-40(31-50(47)59-52)37-14-6-3-7-15-37;1-35-24-25-36(2)49(30-35)58(48-23-13-22-45-44-21-12-20-43(55(44)61-56(45)48)39-18-10-5-11-19-39)42-33-52-54-53(34-42)60-51-32-41(38-16-8-4-9-17-38)27-29-47(51)57(54)46-28-26-40(31-50(46)59-52)37-14-6-3-7-15-37/h4-36H,1-3H3;3-36H,1-2H3;2*3-34H,1-2H3
InChIKeyWERUYBXMBUVTAJ-UHFFFAOYSA-N
MW3177.02 g/mol
LogP54.79
Rot. Bonds25

About N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 161483695) has the molecular formula C227H158B4N4O12 and a molecular weight of 3177.02 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
PubChem CID161483695
Molecular FormulaC227H158B4N4O12
Molecular Weight3177.02 g/mol
Exact Mass3175.22
IUPAC NameN-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
SMILESCC(C)(C)c1ccc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.CC(C)c1ccc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.Cc1cc(C)cc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)c1.Cc1ccc(C)c(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C58H42BNO3.C57H40BNO3.2C56H38BNO3/c1-58(2,3)42-27-29-43(30-28-42)60(50-24-14-23-47-46-22-13-21-45(56(46)63-57(47)50)39-19-11-6-12-20-39)44-35-53-55-54(36-44)62-52-34-41(38-17-9-5-10-18-38)26-32-49(52)59(55)48-31-25-40(33-51(48)61-53)37-15-7-4-8-16-37;1-36(2)37-24-28-43(29-25-37)59(50-23-13-22-47-46-21-12-20-45(56(46)62-57(47)50)40-18-10-5-11-19-40)44-34-53-55-54(35-44)61-52-33-42(39-16-8-4-9-17-39)27-31-49(52)58(55)48-30-26-41(32-51(48)60-53)38-14-6-3-7-15-38;1-35-28-36(2)30-42(29-35)58(49-23-13-22-46-45-21-12-20-44(55(45)61-56(46)49)39-18-10-5-11-19-39)43-33-52-54-53(34-43)60-51-32-41(38-16-8-4-9-17-38)25-27-48(51)57(54)47-26-24-40(31-50(47)59-52)37-14-6-3-7-15-37;1-35-24-25-36(2)49(30-35)58(48-23-13-22-45-44-21-12-20-43(55(44)61-56(45)48)39-18-10-5-11-19-39)42-33-52-54-53(34-42)60-51-32-41(38-16-8-4-9-17-38)27-29-47(51)57(54)46-28-26-40(31-50(46)59-52)37-14-6-3-7-15-37/h4-36H,1-3H3;3-36H,1-2H3;2*3-34H,1-2H3
InChIKeyWERUYBXMBUVTAJ-UHFFFAOYSA-N
XLogP54.79
TPSA139.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003177.02
LogP ≤ 554.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?
The IUPAC name of N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 161483695) is N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is CC(C)(C)c1ccc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.CC(C)c1ccc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.Cc1cc(C)cc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)c1.Cc1ccc(C)c(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2c(-c4ccccc4)cccc23)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?
The InChIKey is WERUYBXMBUVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42BNO3.C57H40BNO3.2C56H38BNO3/c1-58(2,3)42-27-29-43(30-28-42)60(50-24-14-23-47-46-22-13-21-45(56(46)63-57(47)50)39-19-11-6-12-20-39)44-35-53-55-54(36-44)62-52-34-41(38-17-9-5-10-18-38)26-32-49(52)59(55)48-31-25-40(33-51(48)61-53)37-15-7-4-8-16-37;1-36(2)37-24-28-43(29-25-37)59(50-23-13-22-47-46-21-12-20-45(56(46)62-57(47)50)40-18-10-5-11-19-40)44-34-53-55-54(35-44)61-52-33-42(39-16-8-4-9-17-39)27-31-49(52)58(55)48-30-26-41(32-51(48)60-53)38-14-6-3-7-15-38;1-35-28-36(2)30-42(29-35)58(49-23-13-22-46-45-21-12-20-44(55(45)61-56(46)49)39-18-10-5-11-19-39)43-33-52-54-53(34-43)60-51-32-41(38-16-8-4-9-17-38)25-27-48(51)57(54)47-26-24-40(31-50(47)59-52)37-14-6-3-7-15-37;1-35-24-25-36(2)49(30-35)58(48-23-13-22-45-44-21-12-20-43(55(44)61-56(45)48)39-18-10-5-11-19-39)42-33-52-54-53(34-42)60-51-32-41(38-16-8-4-9-17-38)27-29-47(51)57(54)46-28-26-40(31-50(46)59-52)37-14-6-3-7-15-37/h4-36H,1-3H3;3-36H,1-2H3;2*3-34H,1-2H3.
What are the key properties of N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?
N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 3177.02 g/mol, XLogP of 54.79, 25 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(2,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(3,5-dimethylphenyl)-5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N-(6-phenyldibenzofuran-4-yl)-N-(4-propan-2-ylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 161483695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).