10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene

C53H31N5 — CID 147376419

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene (PubChem CID 147376419) has the molecular formula C53H31N5 and a molecular weight of 737.87 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene.

Molecular Properties

• Compound Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene
• PubChem CID: 147376419
• Molecular Formula: C53H31N5
• Molecular Weight: 737.87 g/mol
• Exact Mass: 737.26
• IUPAC Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4c4ccccc4c4c6cccc7c8cc9ccccc9cc8n(c76)c45)c3)n2)cc1
• InChI: InChI=1S/C53H31N5/c1-3-15-32(16-4-1)51-54-52(33-17-5-2-6-18-33)56-53(55-51)36-21-13-22-37(29-36)57-44-28-12-11-25-41(44)47-49(57)39-24-10-9-23-38(39)46-42-27-14-26-40-43-30-34-19-7-8-20-35(34)31-45(43)58(48(40)42)50(46)47/h1-31H
• InChIKey: DKCGTAHTUXWPCZ-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.87
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene?

The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene (CID 147376419) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene.

What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene?

The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4c4ccccc4c4c6cccc7c8cc9ccccc9cc8n(c76)c45)c3)n2)cc1.

What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene?

The InChIKey is DKCGTAHTUXWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N5/c1-3-15-32(16-4-1)51-54-52(33-17-5-2-6-18-33)56-53(55-51)36-21-13-22-37(29-36)57-44-28-12-11-25-41(44)47-49(57)39-24-10-9-23-38(39)46-42-27-14-26-40-43-30-34-19-7-8-20-35(34)31-45(43)58(48(40)42)50(46)47/h1-31H.

What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene?

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene has a molecular weight of 737.87 g/mol, XLogP of 13.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.026,31]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24,26,28,30,32-hexadecaene is sourced from PubChem (CID 147376419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).