5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene

C78H48N2 — CID 164809513

About 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene

5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene (PubChem CID 164809513) has the molecular formula C78H48N2 and a molecular weight of 1013.26 g/mol. Its IUPAC name is 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
• PubChem CID: 164809513
• Molecular Formula: C78H48N2
• Molecular Weight: 1013.26 g/mol
• Exact Mass: 1012.38
• IUPAC Name: 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)c(-c3ccc4c(c3)c3c5c6ccccc6n6c7ccc(-c8c(-c9ccccc9)cc(-c9ccccc9)cc8-c8ccccc8)cc7c(c7c8ccccc8n4c73)c56)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C78H48N2/c1-7-23-49(24-8-1)57-45-61(51-27-11-3-12-28-51)71(62(46-57)52-29-13-4-14-30-52)55-39-41-69-65(43-55)75-73-59-35-19-22-38-68(59)80-70-42-40-56(44-66(70)76(78(73)80)74-60-36-20-21-37-67(60)79(69)77(74)75)72-63(53-31-15-5-16-32-53)47-58(50-25-9-2-10-26-50)48-64(72)54-33-17-6-18-34-54/h1-48H
• InChIKey: RRVHBGPYGDDNJE-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.26
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?

The IUPAC name of 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene (CID 164809513) is 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene.

What is the SMILES notation for 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?

The canonical SMILES for 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene is c1ccc(-c2cc(-c3ccccc3)c(-c3ccc4c(c3)c3c5c6ccccc6n6c7ccc(-c8c(-c9ccccc9)cc(-c9ccccc9)cc8-c8ccccc8)cc7c(c7c8ccccc8n4c73)c56)c(-c3ccccc3)c2)cc1.

What is the InChIKey of 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?

The InChIKey is RRVHBGPYGDDNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N2/c1-7-23-49(24-8-1)57-45-61(51-27-11-3-12-28-51)71(62(46-57)52-29-13-4-14-30-52)55-39-41-69-65(43-55)75-73-59-35-19-22-38-68(59)80-70-42-40-56(44-66(70)76(78(73)80)74-60-36-20-21-37-67(60)79(69)77(74)75)72-63(53-31-15-5-16-32-53)47-58(50-25-9-2-10-26-50)48-64(72)54-33-17-6-18-34-54/h1-48H.

What are the key properties of 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene?

5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene has a molecular weight of 1013.26 g/mol, XLogP of 21.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,20-bis(2,4,6-triphenylphenyl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene is sourced from PubChem (CID 164809513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).