13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene

C66H36N2 — CID 138507009

About 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene

13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene (PubChem CID 138507009) has the molecular formula C66H36N2 and a molecular weight of 857.03 g/mol. Its IUPAC name is 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
• PubChem CID: 138507009
• Molecular Formula: C66H36N2
• Molecular Weight: 857.03 g/mol
• Exact Mass: 856.29
• IUPAC Name: 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
• SMILES: c1ccc2c(c1)c1ccccc1c1cc(-c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(-c4ccc5c7ccccc7c7ccccc7c5c4)c4c5ccccc5n6c34)ccc21
• InChI: InChI=1S/C66H36N2/c1-3-17-45-41(13-1)43-15-5-7-19-47(43)55-33-37(25-27-49(45)55)39-29-31-51-57-35-62-58(36-61(57)67-59-23-11-9-21-53(59)63(39)65(51)67)52-32-30-40(64-54-22-10-12-24-60(54)68(62)66(52)64)38-26-28-50-46-18-4-2-14-42(46)44-16-6-8-20-48(44)56(50)34-38/h1-36H
• InChIKey: UQALMPJPQJQPIX-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.03
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?

The IUPAC name of 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene (CID 138507009) is 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene.

What is the SMILES notation for 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?

The canonical SMILES for 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene is c1ccc2c(c1)c1ccccc1c1cc(-c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(-c4ccc5c7ccccc7c7ccccc7c5c4)c4c5ccccc5n6c34)ccc21.

What is the InChIKey of 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?

The InChIKey is UQALMPJPQJQPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H36N2/c1-3-17-45-41(13-1)43-15-5-7-19-47(43)55-33-37(25-27-49(45)55)39-29-31-51-57-35-62-58(36-61(57)67-59-23-11-9-21-53(59)63(39)65(51)67)52-32-30-40(64-54-22-10-12-24-60(54)68(62)66(52)64)38-26-28-50-46-18-4-2-14-42(46)44-16-6-8-20-48(44)56(50)34-38/h1-36H.

What are the key properties of 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?

13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene has a molecular weight of 857.03 g/mol, XLogP of 18.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 13,28-di(triphenylen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 138507009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).