23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene

C53H32N4 — CID 155772886

About 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene

23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene (PubChem CID 155772886) has the molecular formula C53H32N4 and a molecular weight of 724.87 g/mol. Its IUPAC name is 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene.

Molecular Properties

• Compound Name: 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene
• PubChem CID: 155772886
• Molecular Formula: C53H32N4
• Molecular Weight: 724.87 g/mol
• Exact Mass: 724.26
• IUPAC Name: 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cccc6c5c5c7c(ccc(-c8ccccc8)c7ccc54)-c4ccccc4-6)c4ccccc4c3)n2)cc1
• InChI: InChI=1S/C53H32N4/c1-4-15-33(16-5-1)38-27-28-44-41-24-13-12-23-40(41)42-25-14-26-45-49(42)50-46(30-29-43(38)48(44)50)57(45)47-32-37(31-36-21-10-11-22-39(36)47)53-55-51(34-17-6-2-7-18-34)54-52(56-53)35-19-8-3-9-20-35/h1-32H
• InChIKey: YTIOCHSLKGNKQG-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.87
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene?

The IUPAC name of 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene (CID 155772886) is 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene.

What is the SMILES notation for 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene?

The canonical SMILES for 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5cccc6c5c5c7c(ccc(-c8ccccc8)c7ccc54)-c4ccccc4-6)c4ccccc4c3)n2)cc1.

What is the InChIKey of 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene?

The InChIKey is YTIOCHSLKGNKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4/c1-4-15-33(16-5-1)38-27-28-44-41-24-13-12-23-40(41)42-25-14-26-45-49(42)50-46(30-29-43(38)48(44)50)57(45)47-32-37(31-36-21-10-11-22-39(36)47)53-55-51(34-17-6-2-7-18-34)54-52(56-53)35-19-8-3-9-20-35/h1-32H.

What are the key properties of 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene?

23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene has a molecular weight of 724.87 g/mol, XLogP of 13.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-phenyl-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene is sourced from PubChem (CID 155772886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).