15-N,12-di(dibenzotellurophen-4-yl)-15-N,25-N,25-N,22,28-pentakis-phenyl-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

C84H53B2N5OTe2 — CID 164938123

About 15-N,12-di(dibenzotellurophen-4-yl)-15-N,25-N,25-N,22,28-pentakis-phenyl-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)-15-N,25-N,25-N,22,28-pentakis-phenyl-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 164938123) has the molecular formula C84H53B2N5OTe2 and a molecular weight of 1425.21 g/mol. Its IUPAC name is 15-N,12-di(dibenzotellurophen-4-yl)-15-N,25-N,25-N,22,28-pentakis-phenyl-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)-15-N,25-N,25-N,22,28-pentakis-phenyl-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: 164938123
• Molecular Formula: C84H53B2N5OTe2
• Molecular Weight: 1425.21 g/mol
• Exact Mass: 1429.26
• IUPAC Name: 15-N,12-di(dibenzotellurophen-4-yl)-15-N,25-N,25-N,22,28-pentakis-phenyl-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(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)B2c3ccccc3N(c3cccc4c3[te]c3ccccc34)c3cc(N(c4ccccc4)c4cccc6c4[te]c4ccccc46)cc(c32)O5)cc1
• InChI: InChI=1S/C84H53B2N5OTe2/c1-6-26-54(27-7-1)87(55-28-8-2-9-29-55)59-48-74-81-75(49-59)90(58-34-14-5-15-35-58)73-53-77-68(52-67(73)85(81)65-40-18-20-42-69(65)89(74)57-32-12-4-13-33-57)86-66-41-19-21-43-70(66)91(72-45-25-39-64-62-37-17-23-47-80(62)94-84(64)72)76-50-60(51-78(92-77)82(76)86)88(56-30-10-3-11-31-56)71-44-24-38-63-61-36-16-22-46-79(61)93-83(63)71/h1-53H
• InChIKey: BACYBEADBYQAKM-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 25.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.21
LogP ≤ 5	17.84
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)-15-N,25-N,25-N,22,28-pentakis-phenyl-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)-15-N,25-N,25-N,22,28-pentakis-phenyl-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 164938123) is 15-N,12-di(dibenzotellurophen-4-yl)-15-N,25-N,25-N,22,28-pentakis-phenyl-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)-15-N,25-N,25-N,22,28-pentakis-phenyl-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)-15-N,25-N,25-N,22,28-pentakis-phenyl-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(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)B2c3ccccc3N(c3cccc4c3[te]c3ccccc34)c3cc(N(c4ccccc4)c4cccc6c4[te]c4ccccc46)cc(c32)O5)cc1.

What is the InChIKey of 15-N,12-di(dibenzotellurophen-4-yl)-15-N,25-N,25-N,22,28-pentakis-phenyl-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 BACYBEADBYQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H53B2N5OTe2/c1-6-26-54(27-7-1)87(55-28-8-2-9-29-55)59-48-74-81-75(49-59)90(58-34-14-5-15-35-58)73-53-77-68(52-67(73)85(81)65-40-18-20-42-69(65)89(74)57-32-12-4-13-33-57)86-66-41-19-21-43-70(66)91(72-45-25-39-64-62-37-17-23-47-80(62)94-84(64)72)76-50-60(51-78(92-77)82(76)86)88(56-30-10-3-11-31-56)71-44-24-38-63-61-36-16-22-46-79(61)93-83(63)71/h1-53H.

What are the key properties of 15-N,12-di(dibenzotellurophen-4-yl)-15-N,25-N,25-N,22,28-pentakis-phenyl-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)-15-N,25-N,25-N,22,28-pentakis-phenyl-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 1425.21 g/mol, XLogP of 17.84, 9 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)-15-N,25-N,25-N,22,28-pentakis-phenyl-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 164938123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).