18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene

C228H204B4N8O2S2 — CID 161488759

IUPAC18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene
SMILESCC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4oc5ccc(-c6ccccc6)cc5c43)c2)cc1.CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4oc5ccc(C(C)(C)C)cc5c43)c2)cc1.CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4sc5ccc(-c6ccccc6)cc5c43)c2)cc1.CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4sc5ccc(C(C)(C)C)cc5c43)c2)cc1
InChIInChI=1S/C58H49BN2O.C58H49BN2S.C56H53BN2O.C56H53BN2S/c2*1-57(2,3)44-29-23-39(24-30-44)41-17-13-20-47(35-41)61-51-22-14-21-50-54(51)59(56-55(61)48-36-42(28-34-53(48)62-56)38-15-9-7-10-16-38)49-33-27-43(40-25-31-45(32-26-40)58(4,5)6)37-52(49)60(50)46-18-11-8-12-19-46;2*1-54(2,3)40-26-21-36(22-27-40)38-15-13-18-44(33-38)59-48-20-14-19-47-51(48)57(53-52(59)45-35-42(56(7,8)9)30-32-50(45)60-53)46-31-25-39(37-23-28-41(29-24-37)55(4,5)6)34-49(46)58(47)43-16-11-10-12-17-43/h2*7-37H,1-6H3;2*10-35H,1-9H3
InChIKeyWFICRAVPHHIRKD-UHFFFAOYSA-N
MW3195.58 g/mol
LogP56.64
Rot. Bonds18

About 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene

18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene (PubChem CID 161488759) has the molecular formula C228H204B4N8O2S2 and a molecular weight of 3195.58 g/mol. Its IUPAC name is 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene.

Molecular Properties

Compound Name18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene
PubChem CID161488759
Molecular FormulaC228H204B4N8O2S2
Molecular Weight3195.58 g/mol
Exact Mass3193.59
IUPAC Name18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene
SMILESCC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4oc5ccc(-c6ccccc6)cc5c43)c2)cc1.CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4oc5ccc(C(C)(C)C)cc5c43)c2)cc1.CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4sc5ccc(-c6ccccc6)cc5c43)c2)cc1.CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4sc5ccc(C(C)(C)C)cc5c43)c2)cc1
InChIInChI=1S/C58H49BN2O.C58H49BN2S.C56H53BN2O.C56H53BN2S/c2*1-57(2,3)44-29-23-39(24-30-44)41-17-13-20-47(35-41)61-51-22-14-21-50-54(51)59(56-55(61)48-36-42(28-34-53(48)62-56)38-15-9-7-10-16-38)49-33-27-43(40-25-31-45(32-26-40)58(4,5)6)37-52(49)60(50)46-18-11-8-12-19-46;2*1-54(2,3)40-26-21-36(22-27-40)38-15-13-18-44(33-38)59-48-20-14-19-47-51(48)57(53-52(59)45-35-42(56(7,8)9)30-32-50(45)60-53)46-31-25-39(37-23-28-41(29-24-37)55(4,5)6)34-49(46)58(47)43-16-11-10-12-17-43/h2*7-37H,1-6H3;2*10-35H,1-9H3
InChIKeyWFICRAVPHHIRKD-UHFFFAOYSA-N
XLogP56.64
TPSA52.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003195.58
LogP ≤ 556.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene?
The IUPAC name of 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene (CID 161488759) is 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene.
What is the SMILES notation for 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene?
The canonical SMILES for 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene is CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4oc5ccc(-c6ccccc6)cc5c43)c2)cc1.CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4oc5ccc(C(C)(C)C)cc5c43)c2)cc1.CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4sc5ccc(-c6ccccc6)cc5c43)c2)cc1.CC(C)(C)c1ccc(-c2cccc(N3c4cccc5c4B(c4ccc(-c6ccc(C(C)(C)C)cc6)cc4N5c4ccccc4)c4sc5ccc(C(C)(C)C)cc5c43)c2)cc1.
What is the InChIKey of 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene?
The InChIKey is WFICRAVPHHIRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49BN2O.C58H49BN2S.C56H53BN2O.C56H53BN2S/c2*1-57(2,3)44-29-23-39(24-30-44)41-17-13-20-47(35-41)61-51-22-14-21-50-54(51)59(56-55(61)48-36-42(28-34-53(48)62-56)38-15-9-7-10-16-38)49-33-27-43(40-25-31-45(32-26-40)58(4,5)6)37-52(49)60(50)46-18-11-8-12-19-46;2*1-54(2,3)40-26-21-36(22-27-40)38-15-13-18-44(33-38)59-48-20-14-19-47-51(48)57(53-52(59)45-35-42(56(7,8)9)30-32-50(45)60-53)46-31-25-39(37-23-28-41(29-24-37)55(4,5)6)34-49(46)58(47)43-16-11-10-12-17-43/h2*7-37H,1-6H3;2*10-35H,1-9H3.
What are the key properties of 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene?
18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene has a molecular weight of 3195.58 g/mol, XLogP of 56.64, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;18-tert-butyl-5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8-phenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene;5-(4-tert-butylphenyl)-14-[3-(4-tert-butylphenyl)phenyl]-8,18-diphenyl-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21),17,19-decaene is sourced from PubChem (CID 161488759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).