5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene

C50H40N2 — CID 154591236

About 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene

5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene (PubChem CID 154591236) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene.

Molecular Properties

• Compound Name: 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene
• PubChem CID: 154591236
• Molecular Formula: C50H40N2
• Molecular Weight: 668.88 g/mol
• Exact Mass: 668.32
• IUPAC Name: 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene
• SMILES: Cc1ccccc1-c1ccc2c(c1)c1c3c4cc(C(C)C)ccc4n4c5ccc(-c6ccccc6C)cc5c(c5c6cc(C(C)C)ccc6n2c15)c34
• InChI: InChI=1S/C50H40N2/c1-27(2)31-15-19-41-37(23-31)45-47-39-25-33(35-13-9-7-11-29(35)5)18-22-44(39)52-42-20-16-32(28(3)4)24-38(42)46(50(47)52)48-40-26-34(36-14-10-8-12-30(36)6)17-21-43(40)51(41)49(45)48/h7-28H,1-6H3
• InChIKey: WMZQKAGMNZBOFW-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.88
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?

The IUPAC name of 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene (CID 154591236) is 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene.

What is the SMILES notation for 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?

The canonical SMILES for 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene is Cc1ccccc1-c1ccc2c(c1)c1c3c4cc(C(C)C)ccc4n4c5ccc(-c6ccccc6C)cc5c(c5c6cc(C(C)C)ccc6n2c15)c34.

What is the InChIKey of 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?

The InChIKey is WMZQKAGMNZBOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-27(2)31-15-19-41-37(23-31)45-47-39-25-33(35-13-9-7-11-29(35)5)18-22-44(39)52-42-20-16-32(28(3)4)24-38(42)46(50(47)52)48-40-26-34(36-14-10-8-12-30(36)6)17-21-43(40)51(41)49(45)48/h7-28H,1-6H3.

What are the key properties of 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene?

5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene has a molecular weight of 668.88 g/mol, XLogP of 14.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,20-bis(2-methylphenyl)-13,28-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10(15),11,13,16(32),17(31),18(23),19,21,25(30),26,28-pentadecaene is sourced from PubChem (CID 154591236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).