11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene

C52H31N7 — CID 118186710

About 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene (PubChem CID 118186710) has the molecular formula C52H31N7 and a molecular weight of 753.87 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene.

Molecular Properties

• Compound Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene
• PubChem CID: 118186710
• Molecular Formula: C52H31N7
• Molecular Weight: 753.87 g/mol
• Exact Mass: 753.26
• IUPAC Name: 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)n4ncc5cccc(c7cccc8c9ccccc9n6c78)c54)c3)n2)cc1
• InChI: InChI=1S/C52H31N7/c1-3-14-32(15-4-1)50-54-51(33-16-5-2-6-17-33)56-52(55-50)34-18-11-20-36(28-34)57-43-26-9-8-22-38(43)42-29-46-47(30-45(42)57)59-48-35(31-53-59)19-12-23-40(48)41-25-13-24-39-37-21-7-10-27-44(37)58(46)49(39)41/h1-31H
• InChIKey: LWAZARXTFZPBSY-UHFFFAOYSA-N
• XLogP: 12.48
• TPSA: 65.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.87
LogP ≤ 5	12.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene?

The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene (CID 118186710) is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene.

What is the SMILES notation for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene?

The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)n4ncc5cccc(c7cccc8c9ccccc9n6c78)c54)c3)n2)cc1.

What is the InChIKey of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene?

The InChIKey is LWAZARXTFZPBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N7/c1-3-14-32(15-4-1)50-54-51(33-16-5-2-6-17-33)56-52(55-50)34-18-11-20-36(28-34)57-43-26-9-8-22-38(43)42-29-46-47(30-45(42)57)59-48-35(31-53-59)19-12-23-40(48)41-25-13-24-39-37-21-7-10-27-44(37)58(46)49(39)41/h1-31H.

What are the key properties of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene?

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene has a molecular weight of 753.87 g/mol, XLogP of 12.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,11,15,16-tetrazanonacyclo[21.10.1.115,18.02,14.04,12.05,10.027,34.028,33.022,35]pentatriaconta-2(14),3,5,7,9,12,16,18(35),19,21,23,25,27(34),28,30,32-hexadecaene is sourced from PubChem (CID 118186710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).