14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene

C52H34B2N2 — CID 169132347

IUPAC14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene
SMILESc1ccc(B2c3ccccc3N3c4cccc5c4C4(CCC56c5cccc7c5N(c5ccccc5B7c5ccccc5)c5cccc4c56)c4cccc2c43)cc1
InChIInChI=1S/C52H34B2N2/c1-3-15-33(16-4-1)53-39-23-7-9-27-43(39)55-45-29-13-20-36-47(45)51(37-21-11-25-41(53)49(37)55)31-32-52(36)38-22-12-26-42-50(38)56(46-30-14-19-35(51)48(46)52)44-28-10-8-24-40(44)54(42)34-17-5-2-6-18-34/h1-30H,31-32H2
InChIKeyMWACRJSXMRMOSX-UHFFFAOYSA-N
MW708.48 g/mol
LogP7.69
Rot. Bonds2

About 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene

14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene (PubChem CID 169132347) has the molecular formula C52H34B2N2 and a molecular weight of 708.48 g/mol. Its IUPAC name is 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene.

Molecular Properties

Compound Name14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene
PubChem CID169132347
Molecular FormulaC52H34B2N2
Molecular Weight708.48 g/mol
Exact Mass708.29
IUPAC Name14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene
SMILESc1ccc(B2c3ccccc3N3c4cccc5c4C4(CCC56c5cccc7c5N(c5ccccc5B7c5ccccc5)c5cccc4c56)c4cccc2c43)cc1
InChIInChI=1S/C52H34B2N2/c1-3-15-33(16-4-1)53-39-23-7-9-27-43(39)55-45-29-13-20-36-47(45)51(37-21-11-25-41(53)49(37)55)31-32-52(36)38-22-12-26-42-50(38)56(46-30-14-19-35(51)48(46)52)44-28-10-8-24-40(44)54(42)34-17-5-2-6-18-34/h1-30H,31-32H2
InChIKeyMWACRJSXMRMOSX-UHFFFAOYSA-N
XLogP7.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.48
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene with MolForge

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Related Compounds

5',8-diphenylspiro[1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,10'-benzo[b][1]benzoborinine]
CID 155605562
8,10'-diphenylspiro[1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,9'-acridine]
CID 155605491
4,8-diphenyl-14-(4-phenylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 169068729
11-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 155605492
22,22-dimethyl-14-phenyl-8-thia-1-aza-14-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 155605503
18,18-dimethyl-8-phenyl-1-aza-8-borahexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-2,4,6,9(25),10,12,14,16,19,21,23-undecaene
CID 155605580
5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]
CID 153311869
5-iodo-10-phenylbenzo[b][1,4]benzazaborinine
CID 174032462
22,22-dimethyl-8,8,14-triphenyl-1-aza-8-sila-14-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 155605523
10-phenyl-5-[4-[phenyl-[4-(10-phenylbenzo[b][1,4]benzazaborinin-5-yl)phenyl]phosphoryl]phenyl]benzo[b][1,4]benzazaborinine
CID 158414662
5-(4-ethenylphenyl)-14-[3-(4-ethenylphenyl)phenyl]-8-phenyl-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
CID 169018667
8,14-bis[4-[4-(furan-2-yl)phenyl]phenyl]-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 169018568

Frequently Asked Questions

What is the IUPAC name of 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene?
The IUPAC name of 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene (CID 169132347) is 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene.
What is the SMILES notation for 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene?
The canonical SMILES for 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene is c1ccc(B2c3ccccc3N3c4cccc5c4C4(CCC56c5cccc7c5N(c5ccccc5B7c5ccccc5)c5cccc4c56)c4cccc2c43)cc1.
What is the InChIKey of 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene?
The InChIKey is MWACRJSXMRMOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34B2N2/c1-3-15-33(16-4-1)53-39-23-7-9-27-43(39)55-45-29-13-20-36-47(45)51(37-21-11-25-41(53)49(37)55)31-32-52(36)38-22-12-26-42-50(38)56(46-30-14-19-35(51)48(46)52)44-28-10-8-24-40(44)54(42)34-17-5-2-6-18-34/h1-30H,31-32H2.
What are the key properties of 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene?
14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene has a molecular weight of 708.48 g/mol, XLogP of 7.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,33-diphenyl-7,26-diaza-14,33-diboradodecacyclo[18.18.2.11,21.12,6.17,15.126,34.08,13.027,32.019,43.020,44.025,42.038,41]tetratetraconta-2(44),3,5,8,10,12,15(43),16,18,21(42),22,24,27,29,31,34(41),35,37-octadecaene is sourced from PubChem (CID 169132347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).