13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene

C130H80B6N6O6 — CID 163787504

About 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene

13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene (PubChem CID 163787504) has the molecular formula C130H80B6N6O6 and a molecular weight of 1886.98 g/mol. Its IUPAC name is 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene.

Molecular Properties

• Compound Name: 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
• PubChem CID: 163787504
• Molecular Formula: C130H80B6N6O6
• Molecular Weight: 1886.98 g/mol
• Exact Mass: 1886.67
• IUPAC Name: 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene
• SMILES: c1ccc(N2c3ccccc3B3c4cc5c(cc4Oc4cccc2c43)B2c3ccccc3N(c3ccccc3)c3cccc(c32)O5)cc1.c1ccc(N2c3ccccc3B3c4cc5cc6c(cc5cc4Oc4cccc2c43)B2c3ccccc3N(c3ccccc3)c3cccc(c32)O6)cc1.c1ccc(N2c3ccccc3B3c4ccc5c(c4Oc4cccc2c43)B2c3ccccc3N(c3ccccc3)c3cccc(c32)O5)cc1
• InChI: InChI=1S/C46H28B2N2O2.2C42H26B2N2O2/c1-3-13-31(14-4-1)49-37-19-9-7-17-33(37)47-35-25-29-28-44-36(26-30(29)27-43(35)51-41-23-11-21-39(49)45(41)47)48-34-18-8-10-20-38(34)50(32-15-5-2-6-16-32)40-22-12-24-42(52-44)46(40)48;1-3-13-27(14-4-1)45-32-19-9-7-17-29(32)43-31-25-26-38-41(42(31)48-37-24-12-21-34(45)39(37)43)44-30-18-8-10-20-33(30)46(28-15-5-2-6-16-28)35-22-11-23-36(47-38)40(35)44;1-3-13-27(14-4-1)45-33-19-9-7-17-29(33)43-31-25-40-32(26-39(31)47-37-23-11-21-35(45)41(37)43)44-30-18-8-10-20-34(30)46(28-15-5-2-6-16-28)36-22-12-24-38(48-40)42(36)44/h1-28H;2*1-26H
• InChIKey: MTUXKGPOZYCLMP-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 74.82 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.98
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene?

The IUPAC name of 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene (CID 163787504) is 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene.

What is the SMILES notation for 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene?

The canonical SMILES for 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene is c1ccc(N2c3ccccc3B3c4cc5c(cc4Oc4cccc2c43)B2c3ccccc3N(c3ccccc3)c3cccc(c32)O5)cc1.c1ccc(N2c3ccccc3B3c4cc5cc6c(cc5cc4Oc4cccc2c43)B2c3ccccc3N(c3ccccc3)c3cccc(c32)O6)cc1.c1ccc(N2c3ccccc3B3c4ccc5c(c4Oc4cccc2c43)B2c3ccccc3N(c3ccccc3)c3cccc(c32)O5)cc1.

What is the InChIKey of 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene?

The InChIKey is MTUXKGPOZYCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28B2N2O2.2C42H26B2N2O2/c1-3-13-31(14-4-1)49-37-19-9-7-17-33(37)47-35-25-29-28-44-36(26-30(29)27-43(35)51-41-23-11-21-39(49)45(41)47)48-34-18-8-10-20-38(34)50(32-15-5-2-6-16-32)40-22-12-24-42(52-44)46(40)48;1-3-13-27(14-4-1)45-32-19-9-7-17-29(32)43-31-25-26-38-41(42(31)48-37-24-12-21-34(45)39(37)43)44-30-18-8-10-20-33(30)46(28-15-5-2-6-16-28)35-22-11-23-36(47-38)40(35)44;1-3-13-27(14-4-1)45-33-19-9-7-17-29(33)43-31-25-40-32(26-39(31)47-37-23-11-21-35(45)41(37)43)44-30-18-8-10-20-34(30)46(28-15-5-2-6-16-28)36-22-12-24-38(48-40)42(36)44/h1-28H;2*1-26H.

What are the key properties of 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene?

13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene has a molecular weight of 1886.98 g/mol, XLogP of 20.64, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 13,32-diphenyl-7,26-dioxa-13,32-diaza-1,20-diboradecacyclo[25.11.1.18,12.02,25.04,23.06,21.014,19.031,39.033,38.020,40]tetraconta-2,4(23),5,8,10,12(40),14,16,18,21,24,27,29,31(39),33,35,37-heptadecaene;10,28-diphenyl-4,22-dioxa-10,28-diaza-1,17-diboranonacyclo[21.11.1.15,9.02,21.03,18.011,16.027,35.029,34.017,36]hexatriaconta-2(21),3(18),5,7,9(36),11,13,15,19,23,25,27(35),29,31,33-pentadecaene;11,28-diphenyl-5,22-dioxa-11,28-diaza-1,18-diboranonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2,4(19),6,8,10(36),12,14,16,20,23,25,27(35),29,31,33-pentadecaene is sourced from PubChem (CID 163787504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).