8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine

C232H139B4N11O12S2 — CID 161465444

IUPAC8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine
SMILESc1ccc(-c2c(N3c4cc(-n5c6ccccc6c6ccccc65)cc5c4B(c4oc6ccccc6c43)c3oc4ccccc4c3N5c3oc4ccccc4c3-c3ccccc3)oc3ccccc23)cc1.c1ccc(-c2c(N3c4ccccc4B4c5ccccc5N(c5sc6ccccc6c5-c5ccccc5)c5cccc3c54)sc3ccccc23)cc1.c1ccc(-c2oc3ccccc3c2N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3oc5ccccc5c32)c2oc3ccccc3c2N4c2c(-c3ccccc3)oc3ccccc23)cc1.c1ccc(-c2oc3ccccc3c2N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B(c3oc5ccccc5c32)c2oc3ccccc3c2N4c2c(-c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/2C62H36BN3O4.C62H38BN3O4.C46H29BN2S2/c1-3-19-37(20-4-1)59-55(42-25-9-15-31-50(42)67-59)65-48-35-39(64-46-29-13-7-23-40(46)41-24-8-14-30-47(41)64)36-49-54(48)63(61-57(65)44-27-11-17-33-52(44)69-61)62-58(45-28-12-18-34-53(45)70-62)66(49)56-43-26-10-16-32-51(43)68-60(56)38-21-5-2-6-22-38;1-3-19-37(20-4-1)54-42-25-9-15-31-50(42)69-61(54)65-48-35-39(64-46-29-13-7-23-40(46)41-24-8-14-30-47(41)64)36-49-56(48)63(59-57(65)44-27-11-17-33-52(44)67-59)60-58(45-28-12-18-34-53(45)68-60)66(49)62-55(38-21-5-2-6-22-38)43-26-10-16-32-51(43)70-62;1-5-21-39(22-6-1)59-55(44-29-13-17-33-50(44)67-59)65-48-37-43(64(41-25-9-3-10-26-41)42-27-11-4-12-28-42)38-49-54(48)63(61-57(65)46-31-15-19-35-52(46)69-61)62-58(47-32-16-20-36-53(47)70-62)66(49)56-45-30-14-18-34-51(45)68-60(56)40-23-7-2-8-24-40;1-3-16-30(17-4-1)42-32-20-7-13-28-40(32)50-45(42)48-36-24-11-9-22-34(36)47-35-23-10-12-25-37(35)49(39-27-15-26-38(48)44(39)47)46-43(31-18-5-2-6-19-31)33-21-8-14-29-41(33)51-46/h2*1-36H;1-38H;1-29H
InChIKeyWCJFPHUXLRLCTJ-UHFFFAOYSA-N
MW3380.11 g/mol
LogP57.46
Rot. Bonds21

About 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine

8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine (PubChem CID 161465444) has the molecular formula C232H139B4N11O12S2 and a molecular weight of 3380.11 g/mol. Its IUPAC name is 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine.

Molecular Properties

Compound Name8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine
PubChem CID161465444
Molecular FormulaC232H139B4N11O12S2
Molecular Weight3380.11 g/mol
Exact Mass3378.04
IUPAC Name8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine
SMILESc1ccc(-c2c(N3c4cc(-n5c6ccccc6c6ccccc65)cc5c4B(c4oc6ccccc6c43)c3oc4ccccc4c3N5c3oc4ccccc4c3-c3ccccc3)oc3ccccc23)cc1.c1ccc(-c2c(N3c4ccccc4B4c5ccccc5N(c5sc6ccccc6c5-c5ccccc5)c5cccc3c54)sc3ccccc23)cc1.c1ccc(-c2oc3ccccc3c2N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3oc5ccccc5c32)c2oc3ccccc3c2N4c2c(-c3ccccc3)oc3ccccc23)cc1.c1ccc(-c2oc3ccccc3c2N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B(c3oc5ccccc5c32)c2oc3ccccc3c2N4c2c(-c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/2C62H36BN3O4.C62H38BN3O4.C46H29BN2S2/c1-3-19-37(20-4-1)59-55(42-25-9-15-31-50(42)67-59)65-48-35-39(64-46-29-13-7-23-40(46)41-24-8-14-30-47(41)64)36-49-54(48)63(61-57(65)44-27-11-17-33-52(44)69-61)62-58(45-28-12-18-34-53(45)70-62)66(49)56-43-26-10-16-32-51(43)68-60(56)38-21-5-2-6-22-38;1-3-19-37(20-4-1)54-42-25-9-15-31-50(42)69-61(54)65-48-35-39(64-46-29-13-7-23-40(46)41-24-8-14-30-47(41)64)36-49-56(48)63(59-57(65)44-27-11-17-33-52(44)67-59)60-58(45-28-12-18-34-53(45)68-60)66(49)62-55(38-21-5-2-6-22-38)43-26-10-16-32-51(43)70-62;1-5-21-39(22-6-1)59-55(44-29-13-17-33-50(44)67-59)65-48-37-43(64(41-25-9-3-10-26-41)42-27-11-4-12-28-42)38-49-54(48)63(61-57(65)46-31-15-19-35-52(46)69-61)62-58(47-32-16-20-36-53(47)70-62)66(49)56-45-30-14-18-34-51(45)68-60(56)40-23-7-2-8-24-40;1-3-16-30(17-4-1)42-32-20-7-13-28-40(32)50-45(42)48-36-24-11-9-22-34(36)47-35-23-10-12-25-37(35)49(39-27-15-26-38(48)44(39)47)46-43(31-18-5-2-6-19-31)33-21-8-14-29-41(33)51-46/h2*1-36H;1-38H;1-29H
InChIKeyWCJFPHUXLRLCTJ-UHFFFAOYSA-N
XLogP57.46
TPSA196.70 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms261
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003380.11
LogP ≤ 557.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine?
The IUPAC name of 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine (CID 161465444) is 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine.
What is the SMILES notation for 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine?
The canonical SMILES for 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine is c1ccc(-c2c(N3c4cc(-n5c6ccccc6c6ccccc65)cc5c4B(c4oc6ccccc6c43)c3oc4ccccc4c3N5c3oc4ccccc4c3-c3ccccc3)oc3ccccc23)cc1.c1ccc(-c2c(N3c4ccccc4B4c5ccccc5N(c5sc6ccccc6c5-c5ccccc5)c5cccc3c54)sc3ccccc23)cc1.c1ccc(-c2oc3ccccc3c2N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3oc5ccccc5c32)c2oc3ccccc3c2N4c2c(-c3ccccc3)oc3ccccc23)cc1.c1ccc(-c2oc3ccccc3c2N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B(c3oc5ccccc5c32)c2oc3ccccc3c2N4c2c(-c3ccccc3)oc3ccccc23)cc1.
What is the InChIKey of 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine?
The InChIKey is WCJFPHUXLRLCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H36BN3O4.C62H38BN3O4.C46H29BN2S2/c1-3-19-37(20-4-1)59-55(42-25-9-15-31-50(42)67-59)65-48-35-39(64-46-29-13-7-23-40(46)41-24-8-14-30-47(41)64)36-49-54(48)63(61-57(65)44-27-11-17-33-52(44)69-61)62-58(45-28-12-18-34-53(45)70-62)66(49)56-43-26-10-16-32-51(43)68-60(56)38-21-5-2-6-22-38;1-3-19-37(20-4-1)54-42-25-9-15-31-50(42)69-61(54)65-48-35-39(64-46-29-13-7-23-40(46)41-24-8-14-30-47(41)64)36-49-56(48)63(59-57(65)44-27-11-17-33-52(44)67-59)60-58(45-28-12-18-34-53(45)68-60)66(49)62-55(38-21-5-2-6-22-38)43-26-10-16-32-51(43)70-62;1-5-21-39(22-6-1)59-55(44-29-13-17-33-50(44)67-59)65-48-37-43(64(41-25-9-3-10-26-41)42-27-11-4-12-28-42)38-49-54(48)63(61-57(65)46-31-15-19-35-52(46)69-61)62-58(47-32-16-20-36-53(47)70-62)66(49)56-45-30-14-18-34-51(45)68-60(56)40-23-7-2-8-24-40;1-3-16-30(17-4-1)42-32-20-7-13-28-40(32)50-45(42)48-36-24-11-9-22-34(36)47-35-23-10-12-25-37(35)49(39-27-15-26-38(48)44(39)47)46-43(31-18-5-2-6-19-31)33-21-8-14-29-41(33)51-46/h2*1-36H;1-38H;1-29H.
What are the key properties of 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine?
8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine has a molecular weight of 3380.11 g/mol, XLogP of 57.46, 21 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-bis(3-phenyl-1-benzothiophen-2-yl)-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;14-carbazol-9-yl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;14-carbazol-9-yl-11,17-bis(3-phenyl-1-benzofuran-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaene;N,N-diphenyl-11,17-bis(2-phenyl-1-benzofuran-3-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4,6,8,12,14,16(27),18(26),19,21,23-undecaen-14-amine is sourced from PubChem (CID 161465444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).