15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

C96H61B2N5OTe2 — CID 164938138

About 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (PubChem CID 164938138) has the molecular formula C96H61B2N5OTe2 and a molecular weight of 1577.40 g/mol. Its IUPAC name is 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

Molecular Properties

• Compound Name: 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• PubChem CID: 164938138
• Molecular Formula: C96H61B2N5OTe2
• Molecular Weight: 1577.40 g/mol
• Exact Mass: 1581.32
• IUPAC Name: 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3N(c3cccc5c3[te]c3ccccc35)c3cc(N(c5ccccc5)c5cccc6c5[te]c5ccccc56)cc(c32)O4)cc1
• InChI: InChI=1S/C96H61B2N5OTe2/c1-7-30-62(31-8-1)70-44-27-45-71(63-32-9-2-10-33-63)94(70)103-84-61-88-79(60-78(84)97-76-48-21-23-50-80(76)101(67-40-17-6-18-41-67)85-56-68(57-86(103)92(85)97)99(64-34-11-3-12-35-64)65-36-13-4-14-37-65)98-77-49-22-24-51-81(77)102(83-53-29-47-75-73-43-20-26-55-91(73)106-96(75)83)87-58-69(59-89(104-88)93(87)98)100(66-38-15-5-16-39-66)82-52-28-46-74-72-42-19-25-54-90(72)105-95(74)82/h1-61H
• InChIKey: GVYWWPLEZRAZAW-UHFFFAOYSA-N
• XLogP: 21.17
• TPSA: 25.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1577.40
LogP ≤ 5	21.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The IUPAC name of 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (CID 164938138) is 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

What is the SMILES notation for 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The canonical SMILES for 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc4c(cc3B3c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3N(c3cccc5c3[te]c3ccccc35)c3cc(N(c5ccccc5)c5cccc6c5[te]c5ccccc56)cc(c32)O4)cc1.

What is the InChIKey of 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The InChIKey is GVYWWPLEZRAZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H61B2N5OTe2/c1-7-30-62(31-8-1)70-44-27-45-71(63-32-9-2-10-33-63)94(70)103-84-61-88-79(60-78(84)97-76-48-21-23-50-80(76)101(67-40-17-6-18-41-67)85-56-68(57-86(103)92(85)97)99(64-34-11-3-12-35-64)65-36-13-4-14-37-65)98-77-49-22-24-51-81(77)102(83-53-29-47-75-73-43-20-26-55-91(73)106-96(75)83)87-58-69(59-89(104-88)93(87)98)100(66-38-15-5-16-39-66)82-52-28-46-74-72-42-19-25-54-90(72)105-95(74)82/h1-61H.

What are the key properties of 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine has a molecular weight of 1577.40 g/mol, XLogP of 21.17, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15-N,12-di(dibenzotellurophen-4-yl)-22-(2,6-diphenylphenyl)-15-N,25-N,25-N,28-tetraphenyl-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is sourced from PubChem (CID 164938138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).