11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene

C144H87B3N13O6PS2Se — CID 162087874

About 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene

11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene (PubChem CID 162087874) has the molecular formula C144H87B3N13O6PS2Se and a molecular weight of 2301.87 g/mol. Its IUPAC name is 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene.

Molecular Properties

• Compound Name: 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene
• PubChem CID: 162087874
• Molecular Formula: C144H87B3N13O6PS2Se
• Molecular Weight: 2301.87 g/mol
• Exact Mass: 2301.55
• IUPAC Name: 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene
• SMILES: O=P12c3sc4ccccc4c3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1sc3ccccc3c12.c1ccc(-n2c3c(c4ccccc42)N(c2cncnc2)c2cccc4c2B3c2c(n(-c3ccccc3)c3ccccc23)N4c2cncnc2)cc1.c1ccc(N2c3cccc4c3B(c3oc5ccccc5c32)c2c(oc3ccccc23)N4c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N2c3cccc4c3B(c3oc5ccccc5c3[Se]4)c3c2oc2ccccc32)cc1
• InChI: InChI=1S/C42H27BN8.C40H23BN2O3.C34H21N2OPS2.C28H16BNO2Se/c1-3-12-28(13-4-1)49-35-19-10-8-17-33(35)40-41(49)43-38-32-16-7-9-18-34(32)50(29-14-5-2-6-15-29)42(38)51(31-24-46-27-47-25-31)37-21-11-20-36(39(37)43)48(40)30-22-44-26-45-23-30;1-2-11-24(12-3-1)42-30-16-10-17-31-37(30)41(39-38(42)28-15-6-9-20-34(28)45-39)36-27-14-5-8-19-33(27)46-40(36)43(31)25-21-22-35-29(23-25)26-13-4-7-18-32(26)44-35;37-38-31-25-17-8-10-21-29(25)39-33(31)36(23-14-5-2-6-15-23)27-19-11-18-26(32(27)38)35(22-12-3-1-4-13-22)30-24-16-7-9-20-28(24)40-34(30)38;1-2-9-17(10-3-1)30-20-13-8-16-23-25(20)29(24-18-11-4-6-14-21(18)32-28(24)30)27-26(33-23)19-12-5-7-15-22(19)31-27/h1-27H;1-23H;1-21H;1-16H
• InChIKey: ZDFCLPRIZAURHN-UHFFFAOYSA-N
• XLogP: 29.17
• TPSA: 166.87 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2301.87
LogP ≤ 5	29.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene?

The IUPAC name of 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene (CID 162087874) is 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene.

What is the SMILES notation for 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene?

The canonical SMILES for 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene is O=P12c3sc4ccccc4c3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1sc3ccccc3c12.c1ccc(-n2c3c(c4ccccc42)N(c2cncnc2)c2cccc4c2B3c2c(n(-c3ccccc3)c3ccccc23)N4c2cncnc2)cc1.c1ccc(N2c3cccc4c3B(c3oc5ccccc5c32)c2c(oc3ccccc23)N4c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N2c3cccc4c3B(c3oc5ccccc5c3[Se]4)c3c2oc2ccccc32)cc1.

What is the InChIKey of 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene?

The InChIKey is ZDFCLPRIZAURHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27BN8.C40H23BN2O3.C34H21N2OPS2.C28H16BNO2Se/c1-3-12-28(13-4-1)49-35-19-10-8-17-33(35)40-41(49)43-38-32-16-7-9-18-34(32)50(29-14-5-2-6-15-29)42(38)51(31-24-46-27-47-25-31)37-21-11-20-36(39(37)43)48(40)30-22-44-26-45-23-30;1-2-11-24(12-3-1)42-30-16-10-17-31-37(30)41(39-38(42)28-15-6-9-20-34(28)45-39)36-27-14-5-8-19-33(27)46-40(36)43(31)25-21-22-35-29(23-25)26-13-4-7-18-32(26)44-35;37-38-31-25-17-8-10-21-29(25)39-33(31)36(23-14-5-2-6-15-23)27-19-11-18-26(32(27)38)35(22-12-3-1-4-13-22)30-24-16-7-9-20-28(24)40-34(30)38;1-2-9-17(10-3-1)30-20-13-8-16-23-25(20)29(24-18-11-4-6-14-21(18)32-28(24)30)27-26(33-23)19-12-5-7-15-22(19)31-27/h1-27H;1-23H;1-21H;1-16H.

What are the key properties of 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene?

11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene has a molecular weight of 2301.87 g/mol, XLogP of 29.17, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 11-dibenzofuran-2-yl-17-phenyl-9,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;9,25-diphenyl-11,17-di(pyrimidin-5-yl)-9,11,17,25-tetraza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene;11,17-diphenyl-9,25-dithia-11,17-diaza-1λ5-phosphaheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12,14,16(27),18(26),19,21,23-undecaene 1-oxide;11-phenyl-9,25-dioxa-17-selena-11-aza-1-boraheptacyclo[14.10.1.02,10.03,8.012,27.018,26.019,24]heptacosa-2(10),3,5,7,12(27),13,15,18(26),19,21,23-undecaene is sourced from PubChem (CID 162087874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).