6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene

C66H40N2 — CID 164809391

About 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene

6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene (PubChem CID 164809391) has the molecular formula C66H40N2 and a molecular weight of 861.06 g/mol. Its IUPAC name is 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene
• PubChem CID: 164809391
• Molecular Formula: C66H40N2
• Molecular Weight: 861.06 g/mol
• Exact Mass: 860.32
• IUPAC Name: 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene
• SMILES: c1ccc(-c2cccc(-c3ccc4c5c6c7ccccc7n7c8cc(-c9cccc(-c%10ccccc%10)c9-c9ccccc9)ccc8c(c8c9ccccc9n(c4c3)c85)c67)c2-c2ccccc2)cc1
• InChI: InChI=1S/C66H40N2/c1-5-19-41(20-6-1)47-29-17-31-49(59(47)43-23-9-3-10-24-43)45-35-37-53-57(39-45)67-55-33-15-13-27-51(55)62-64-54-38-36-46(40-58(54)68-56-34-16-14-28-52(56)61(66(64)68)63(53)65(62)67)50-32-18-30-48(42-21-7-2-8-22-42)60(50)44-25-11-4-12-26-44/h1-40H
• InChIKey: RMKSGMSPUMBXDG-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.06
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

The IUPAC name of 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene (CID 164809391) is 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene.

What is the SMILES notation for 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

The canonical SMILES for 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene is c1ccc(-c2cccc(-c3ccc4c5c6c7ccccc7n7c8cc(-c9cccc(-c%10ccccc%10)c9-c9ccccc9)ccc8c(c8c9ccccc9n(c4c3)c85)c67)c2-c2ccccc2)cc1.

What is the InChIKey of 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

The InChIKey is RMKSGMSPUMBXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2/c1-5-19-41(20-6-1)47-29-17-31-49(59(47)43-23-9-3-10-24-43)45-35-37-53-57(39-45)67-55-33-15-13-27-51(55)62-64-54-38-36-46(40-58(54)68-56-34-16-14-28-52(56)61(66(64)68)63(53)65(62)67)50-32-18-30-48(42-21-7-2-8-22-42)60(50)44-25-11-4-12-26-44/h1-40H.

What are the key properties of 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene has a molecular weight of 861.06 g/mol, XLogP of 17.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,21-bis(2,3-diphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene is sourced from PubChem (CID 164809391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).