3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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

C134H108B6N28O6+10 — CID 157391173

IUPAC3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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
SMILESC[n+]1cccc2c1B1c3c(cncc3N(c3ccccc3)c3ccc[n+](C)c31)O2.C[n+]1ccnc2c1B1c3c(cccc3N(c3ccccc3)c3ncc[n+](C)c31)O2.C[n+]1ccnc2c1B1c3c(cncc3N(c3ccccc3)c3ncc[n+](C)c31)O2.C[n+]1cncc2c1B1c3c(cccc3N(c3ccccc3)c3cnc[n+](C)c31)O2.C[n+]1cncc2c1B1c3c(cncc3N(c3ccccc3)c3cnc[n+](C)c31)O2.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3nccc(c31)O2
InChIInChI=1S/C25H19BN2O.C23H19BN4O.2C22H18BN5O.2C21H17BN6O/c1-16-8-6-12-19-22(16)26-23-17(2)9-7-13-20(23)29-21-14-15-27-25(24(21)26)28(19)18-10-4-3-5-11-18;1-26-12-6-10-17-22(26)24-21-18(28(17)16-8-4-3-5-9-16)14-25-15-20(21)29-19-11-7-13-27(2)23(19)24;1-26-13-24-11-17-21(26)23-20-16(28(17)15-7-4-3-5-8-15)9-6-10-18(20)29-19-12-25-14-27(2)22(19)23;1-26-13-11-24-21-19(26)23-18-16(28(21)15-7-4-3-5-8-15)9-6-10-17(18)29-22-20(23)27(2)14-12-25-22;1-26-12-24-9-16-20(26)22-19-15(28(16)14-6-4-3-5-7-14)8-23-10-17(19)29-18-11-25-13-27(2)21(18)22;1-26-10-8-24-20-18(26)22-17-15(28(20)14-6-4-3-5-7-14)12-23-13-16(17)29-21-19(22)27(2)11-9-25-21/h2*3-15H,1-2H3;2*3-14H,1-2H3;2*3-13H,1-2H3/q;5*+2
InChIKeyLFNLTPWSHLMRMC-UHFFFAOYSA-N
MW2271.40 g/mol
LogP6.15
Rot. Bonds6

About 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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 (PubChem CID 157391173) has the molecular formula C134H108B6N28O6+10 and a molecular weight of 2271.40 g/mol. Its IUPAC name is 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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.

Molecular Properties

Compound Name3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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
PubChem CID157391173
Molecular FormulaC134H108B6N28O6+10
Molecular Weight2271.40 g/mol
Exact Mass2270.95
IUPAC Name3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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
SMILESC[n+]1cccc2c1B1c3c(cncc3N(c3ccccc3)c3ccc[n+](C)c31)O2.C[n+]1ccnc2c1B1c3c(cccc3N(c3ccccc3)c3ncc[n+](C)c31)O2.C[n+]1ccnc2c1B1c3c(cncc3N(c3ccccc3)c3ncc[n+](C)c31)O2.C[n+]1cncc2c1B1c3c(cccc3N(c3ccccc3)c3cnc[n+](C)c31)O2.C[n+]1cncc2c1B1c3c(cncc3N(c3ccccc3)c3cnc[n+](C)c31)O2.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3nccc(c31)O2
InChIInChI=1S/C25H19BN2O.C23H19BN4O.2C22H18BN5O.2C21H17BN6O/c1-16-8-6-12-19-22(16)26-23-17(2)9-7-13-20(23)29-21-14-15-27-25(24(21)26)28(19)18-10-4-3-5-11-18;1-26-12-6-10-17-22(26)24-21-18(28(17)16-8-4-3-5-9-16)14-25-15-20(21)29-19-11-7-13-27(2)23(19)24;1-26-13-24-11-17-21(26)23-20-16(28(17)15-7-4-3-5-8-15)9-6-10-18(20)29-19-12-25-14-27(2)22(19)23;1-26-13-11-24-21-19(26)23-18-16(28(21)15-7-4-3-5-8-15)9-6-10-17(18)29-22-20(23)27(2)14-12-25-22;1-26-12-24-9-16-20(26)22-19-15(28(16)14-6-4-3-5-7-14)8-23-10-17(19)29-18-11-25-13-27(2)21(18)22;1-26-10-8-24-20-18(26)22-17-15(28(20)14-6-4-3-5-7-14)12-23-13-16(17)29-21-19(22)27(2)11-9-25-21/h2*3-15H,1-2H3;2*3-14H,1-2H3;2*3-13H,1-2H3/q;5*+2
InChIKeyLFNLTPWSHLMRMC-UHFFFAOYSA-N
XLogP6.15
TPSA268.30 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002271.40
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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 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 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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?
The IUPAC name of 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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 (CID 157391173) is 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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.
What is the SMILES notation for 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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?
The canonical SMILES for 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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 is C[n+]1cccc2c1B1c3c(cncc3N(c3ccccc3)c3ccc[n+](C)c31)O2.C[n+]1ccnc2c1B1c3c(cccc3N(c3ccccc3)c3ncc[n+](C)c31)O2.C[n+]1ccnc2c1B1c3c(cncc3N(c3ccccc3)c3ncc[n+](C)c31)O2.C[n+]1cncc2c1B1c3c(cccc3N(c3ccccc3)c3cnc[n+](C)c31)O2.C[n+]1cncc2c1B1c3c(cncc3N(c3ccccc3)c3cnc[n+](C)c31)O2.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3nccc(c31)O2.
What is the InChIKey of 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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?
The InChIKey is LFNLTPWSHLMRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BN2O.C23H19BN4O.2C22H18BN5O.2C21H17BN6O/c1-16-8-6-12-19-22(16)26-23-17(2)9-7-13-20(23)29-21-14-15-27-25(24(21)26)28(19)18-10-4-3-5-11-18;1-26-12-6-10-17-22(26)24-21-18(28(17)16-8-4-3-5-9-16)14-25-15-20(21)29-19-11-7-13-27(2)23(19)24;1-26-13-24-11-17-21(26)23-20-16(28(17)15-7-4-3-5-8-15)9-6-10-18(20)29-19-12-25-14-27(2)22(19)23;1-26-13-11-24-21-19(26)23-18-16(28(21)15-7-4-3-5-8-15)9-6-10-17(18)29-22-20(23)27(2)14-12-25-22;1-26-12-24-9-16-20(26)22-19-15(28(16)14-6-4-3-5-7-14)8-23-10-17(19)29-18-11-25-13-27(2)21(18)22;1-26-10-8-24-20-18(26)22-17-15(28(20)14-6-4-3-5-7-14)12-23-13-16(17)29-21-19(22)27(2)11-9-25-21/h2*3-15H,1-2H3;2*3-14H,1-2H3;2*3-13H,1-2H3/q;5*+2.
What are the key properties of 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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 has a molecular weight of 2271.40 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,19-dimethyl-8-phenyl-14-oxa-8,10-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-11,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-14-phenyl-8-oxa-5,11,14,17-tetraza-3,19-diazonia-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-6,11,14,16-tetraza-3,19-diazonia-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-5,14,17-triaza-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-14-phenyl-8-oxa-6,14,16-triaza-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 is sourced from PubChem (CID 157391173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).