3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene

C144H115B6N25O5+8 — CID 157062770

IUPAC3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
SMILESC[n+]1cccc2c1B1c3c(ccnc3O2)N(c2ccccc2)c2ccc[n+](C)c21.C[n+]1cccc2c1B1c3c(ccnc3O2)N(c2ccccc2)c2cnc[n+](C)c21.C[n+]1cccc2c1B1c3c(ccnc3O2)N(c2ccccc2)c2ncc[n+](C)c21.C[n+]1cncc2c1B1c3c(ncnc3N(c3ccccc3)c3cnc[n+](C)c31)O2.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3cccc(c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3ccnc(c31)O2
InChIInChI=1S/C32H25BN2.C25H19BN2O.C23H19BN4O.2C22H18BN5O.C20H16BN7O/c1-22-12-9-18-26-30(22)33-31-23(2)13-10-19-27(31)35(25-16-7-4-8-17-25)29-21-11-20-28(32(29)33)34(26)24-14-5-3-6-15-24;1-16-8-6-12-19-22(16)26-23-17(2)9-7-13-21(23)29-25-24(26)20(14-15-27-25)28(19)18-10-4-3-5-11-18;1-26-14-6-10-18-21(26)24-20-17(28(18)16-8-4-3-5-9-16)12-13-25-23(20)29-19-11-7-15-27(2)22(19)24;1-26-13-6-9-17-19(26)23-18-16(10-11-25-22(18)29-17)28(15-7-4-3-5-8-15)21-20(23)27(2)14-12-24-21;1-26-12-6-9-18-21(26)23-19-16(10-11-25-22(19)29-18)28(15-7-4-3-5-8-15)17-13-24-14-27(2)20(17)23;1-26-11-22-8-14-17(26)21-16-19(28(14)13-6-4-3-5-7-13)24-10-25-20(16)29-15-9-23-12-27(2)18(15)21/h3-21H,1-2H3;2*3-15H,1-2H3;2*3-14H,1-2H3;3-12H,1-2H3/q;;4*+2
InChIKeyCLVXMMOTHPHJQU-UHFFFAOYSA-N
MW2340.55 g/mol
LogP12.01
Rot. Bonds7

About 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene

3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene (PubChem CID 157062770) has the molecular formula C144H115B6N25O5+8 and a molecular weight of 2340.55 g/mol. Its IUPAC name is 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
PubChem CID157062770
Molecular FormulaC144H115B6N25O5+8
Molecular Weight2340.55 g/mol
Exact Mass2340.00
IUPAC Name3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
SMILESC[n+]1cccc2c1B1c3c(ccnc3O2)N(c2ccccc2)c2ccc[n+](C)c21.C[n+]1cccc2c1B1c3c(ccnc3O2)N(c2ccccc2)c2cnc[n+](C)c21.C[n+]1cccc2c1B1c3c(ccnc3O2)N(c2ccccc2)c2ncc[n+](C)c21.C[n+]1cncc2c1B1c3c(ncnc3N(c3ccccc3)c3cnc[n+](C)c31)O2.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3cccc(c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3ccnc(c31)O2
InChIInChI=1S/C32H25BN2.C25H19BN2O.C23H19BN4O.2C22H18BN5O.C20H16BN7O/c1-22-12-9-18-26-30(22)33-31-23(2)13-10-19-27(31)35(25-16-7-4-8-17-25)29-21-11-20-28(32(29)33)34(26)24-14-5-3-6-15-24;1-16-8-6-12-19-22(16)26-23-17(2)9-7-13-21(23)29-25-24(26)20(14-15-27-25)28(19)18-10-4-3-5-11-18;1-26-14-6-10-18-21(26)24-20-17(28(18)16-8-4-3-5-9-16)12-13-25-23(20)29-19-11-7-15-27(2)22(19)24;1-26-13-6-9-17-19(26)23-18-16(10-11-25-22(18)29-17)28(15-7-4-3-5-8-15)21-20(23)27(2)14-12-24-21;1-26-12-6-9-18-21(26)23-19-16(10-11-25-22(19)29-18)28(15-7-4-3-5-8-15)17-13-24-14-27(2)20(17)23;1-26-11-22-8-14-17(26)21-16-19(28(14)13-6-4-3-5-7-13)24-10-25-20(16)29-15-9-23-12-27(2)18(15)21/h3-21H,1-2H3;2*3-15H,1-2H3;2*3-14H,1-2H3;3-12H,1-2H3/q;;4*+2
InChIKeyCLVXMMOTHPHJQU-UHFFFAOYSA-N
XLogP12.01
TPSA228.77 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds7
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002340.55
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?
The IUPAC name of 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene (CID 157062770) is 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?
The canonical SMILES for 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene is C[n+]1cccc2c1B1c3c(ccnc3O2)N(c2ccccc2)c2ccc[n+](C)c21.C[n+]1cccc2c1B1c3c(ccnc3O2)N(c2ccccc2)c2cnc[n+](C)c21.C[n+]1cccc2c1B1c3c(ccnc3O2)N(c2ccccc2)c2ncc[n+](C)c21.C[n+]1cncc2c1B1c3c(ncnc3N(c3ccccc3)c3cnc[n+](C)c31)O2.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3cccc(c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3ccnc(c31)O2.
What is the InChIKey of 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?
The InChIKey is CLVXMMOTHPHJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25BN2.C25H19BN2O.C23H19BN4O.2C22H18BN5O.C20H16BN7O/c1-22-12-9-18-26-30(22)33-31-23(2)13-10-19-27(31)35(25-16-7-4-8-17-25)29-21-11-20-28(32(29)33)34(26)24-14-5-3-6-15-24;1-16-8-6-12-19-22(16)26-23-17(2)9-7-13-21(23)29-25-24(26)20(14-15-27-25)28(19)18-10-4-3-5-11-18;1-26-14-6-10-18-21(26)24-20-17(28(18)16-8-4-3-5-9-16)12-13-25-23(20)29-19-11-7-15-27(2)22(19)24;1-26-13-6-9-17-19(26)23-18-16(10-11-25-22(18)29-17)28(15-7-4-3-5-8-15)21-20(23)27(2)14-12-24-21;1-26-12-6-9-18-21(26)23-19-16(10-11-25-22(19)29-18)28(15-7-4-3-5-8-15)17-13-24-14-27(2)20(17)23;1-26-11-22-8-14-17(26)21-16-19(28(14)13-6-4-3-5-7-13)24-10-25-20(16)29-15-9-23-12-27(2)18(15)21/h3-21H,1-2H3;2*3-15H,1-2H3;2*3-14H,1-2H3;3-12H,1-2H3/q;;4*+2.
What are the key properties of 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene?
3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 2340.55 g/mol, XLogP of 12.01, 7 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-14-phenyl-8-oxa-10,14-diaza-3,19-diazonia-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;3,19-dimethyl-14-phenyl-8-oxa-5,10,12,14,17-pentaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8-phenyl-14-oxa-5,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8-phenyl-14-oxa-6,8,12-triaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 157062770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).