22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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

C102H67B2N5OTe — CID 164938116

About 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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

22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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 164938116) has the molecular formula C102H67B2N5OTe and a molecular weight of 1527.92 g/mol. Its IUPAC name is 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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: 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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: 164938116
• Molecular Formula: C102H67B2N5OTe
• Molecular Weight: 1527.92 g/mol
• Exact Mass: 1529.46
• IUPAC Name: 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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(-c2ccccc2N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2-c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)N(c2cccc3c2[te]c2ccccc23)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2-c2ccccc2)cc1
• InChI: InChI=1S/C102H67B2N5OTe/c1-7-34-68(35-8-1)76-46-19-26-54-86(76)105(72-42-15-5-16-43-72)74-62-94-100-95(63-74)109(92-60-33-51-81-80-50-23-32-61-99(80)111-102(81)92)93-67-97-85(66-84(93)103(100)82-52-24-30-58-90(82)107(94)88-56-28-21-48-78(88)70-38-11-3-12-39-70)104-83-53-25-31-59-91(83)108(89-57-29-22-49-79(89)71-40-13-4-14-41-71)96-64-75(65-98(110-97)101(96)104)106(73-44-17-6-18-45-73)87-55-27-20-47-77(87)69-36-9-2-10-37-69/h1-67H
• InChIKey: KOXAOUWTWMDQKO-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 25.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1527.92
LogP ≤ 5	23.15
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 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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 164938116) is 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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(-c2ccccc2N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2-c2ccccc2)c2ccccc2B4c2cc4c(cc2O3)N(c2cccc3c2[te]c2ccccc23)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)cc3c2B4c2ccccc2N3c2ccccc2-c2ccccc2)cc1.

What is the InChIKey of 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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 KOXAOUWTWMDQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H67B2N5OTe/c1-7-34-68(35-8-1)76-46-19-26-54-86(76)105(72-42-15-5-16-43-72)74-62-94-100-95(63-74)109(92-60-33-51-81-80-50-23-32-61-99(80)111-102(81)92)93-67-97-85(66-84(93)103(100)82-52-24-30-58-90(82)107(94)88-56-28-21-48-78(88)70-38-11-3-12-39-70)104-83-53-25-31-59-91(83)108(89-57-29-22-49-79(89)71-40-13-4-14-41-71)96-64-75(65-98(110-97)101(96)104)106(73-44-17-6-18-45-73)87-55-27-20-47-77(87)69-36-9-2-10-37-69/h1-67H.

What are the key properties of 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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?

22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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 1527.92 g/mol, XLogP of 23.15, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 22-dibenzotellurophen-4-yl-15-N,25-N-diphenyl-15-N,25-N,12,28-tetrakis(2-phenylphenyl)-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 164938116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).