bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene)

C144H84N20O4 — CID 159304129

About bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene)

bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene) (PubChem CID 159304129) has the molecular formula C144H84N20O4 and a molecular weight of 2158.39 g/mol. Its IUPAC name is bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene).

Molecular Properties

• Compound Name: bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene)
• PubChem CID: 159304129
• Molecular Formula: C144H84N20O4
• Molecular Weight: 2158.39 g/mol
• Exact Mass: 2156.70
• IUPAC Name: bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene)
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5cccnc5c4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5cccnc5c4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5ccncc5c4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5ccncc5c4c4ccc5c6ccccc6oc5c43)n2)cc1
• InChI: InChI=1S/4C36H21N5O/c2*1-3-10-23(11-4-1)34-38-35(24-12-5-2-6-13-24)40-36(39-34)41-28-20-17-22-14-9-21-37-31(22)30(28)27-19-18-26-25-15-7-8-16-29(25)42-33(26)32(27)41;2*1-3-9-23(10-4-1)34-38-35(24-11-5-2-6-12-24)40-36(39-34)41-29-18-15-22-19-20-37-21-28(22)31(29)27-17-16-26-25-13-7-8-14-30(25)42-33(26)32(27)41/h4*1-21H
• InChIKey: LBRWHXYCLDLWCJ-UHFFFAOYSA-N
• XLogP: 35.00
• TPSA: 278.52 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.39
LogP ≤ 5	35.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene)?

The IUPAC name of bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene) (CID 159304129) is bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene).

What is the SMILES notation for bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene)?

The canonical SMILES for bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene) is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5cccnc5c4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5cccnc5c4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5ccncc5c4c4ccc5c6ccccc6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5ccncc5c4c4ccc5c6ccccc6oc5c43)n2)cc1.

What is the InChIKey of bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene)?

The InChIKey is LBRWHXYCLDLWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C36H21N5O/c2*1-3-10-23(11-4-1)34-38-35(24-12-5-2-6-13-24)40-36(39-34)41-28-20-17-22-14-9-21-37-31(22)30(28)27-19-18-26-25-15-7-8-16-29(25)42-33(26)32(27)41;2*1-3-9-23(10-4-1)34-38-35(24-11-5-2-6-12-24)40-36(39-34)41-29-18-15-22-19-20-37-21-28(22)31(29)27-17-16-26-25-13-7-8-14-30(25)42-33(26)32(27)41/h4*1-21H.

What are the key properties of bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene)?

bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene) has a molecular weight of 2158.39 g/mol, XLogP of 35.00, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene) is sourced from PubChem (CID 159304129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).