6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene

C68H40N2 — CID 164809530

About 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene

6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene (PubChem CID 164809530) has the molecular formula C68H40N2 and a molecular weight of 885.08 g/mol. Its IUPAC name is 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene
• PubChem CID: 164809530
• Molecular Formula: C68H40N2
• Molecular Weight: 885.08 g/mol
• Exact Mass: 884.32
• IUPAC Name: 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene
• SMILES: c1ccc(C2(c3ccc4c5c6c7ccccc7n7c8cc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)ccc8c(c8c9ccccc9n(c4c3)c85)c67)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C68H40N2/c1-3-19-41(20-4-1)67(53-29-13-7-23-45(53)46-24-8-14-30-54(46)67)43-35-37-51-59(39-43)69-57-33-17-11-27-49(57)62-64-52-38-36-44(40-60(52)70-58-34-18-12-28-50(58)61(66(64)70)63(51)65(62)69)68(42-21-5-2-6-22-42)55-31-15-9-25-47(55)48-26-10-16-32-56(48)68/h1-40H
• InChIKey: IDTRGTPSWPRPHR-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.08
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

The IUPAC name of 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene (CID 164809530) is 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene.

What is the SMILES notation for 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

The canonical SMILES for 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene is c1ccc(C2(c3ccc4c5c6c7ccccc7n7c8cc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)ccc8c(c8c9ccccc9n(c4c3)c85)c67)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

The InChIKey is IDTRGTPSWPRPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N2/c1-3-19-41(20-4-1)67(53-29-13-7-23-45(53)46-24-8-14-30-54(46)67)43-35-37-51-59(39-43)69-57-33-17-11-27-49(57)62-64-52-38-36-44(40-60(52)70-58-34-18-12-28-50(58)61(66(64)70)63(51)65(62)69)68(42-21-5-2-6-22-42)55-31-15-9-25-47(55)48-26-10-16-32-56(48)68/h1-40H.

What are the key properties of 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene?

6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene has a molecular weight of 885.08 g/mol, XLogP of 16.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,21-bis(9-phenylfluoren-9-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),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene is sourced from PubChem (CID 164809530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).