12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine

C53H34N4O — CID 170183004

About 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine

12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine (PubChem CID 170183004) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine.

Molecular Properties

• Compound Name: 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine
• PubChem CID: 170183004
• Molecular Formula: C53H34N4O
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.27
• IUPAC Name: 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c5cccc-4c35)cc2)cc1
• InChI: InChI=1S/C53H34N4O/c1-4-13-35(14-5-1)37-25-27-42(28-26-37)57(41-19-8-3-9-20-41)43-29-30-44-45-21-12-22-46-47(31-32-48(50(45)46)58-49(44)34-43)53-55-51(38-16-6-2-7-17-38)54-52(56-53)40-24-23-36-15-10-11-18-39(36)33-40/h1-34H
• InChIKey: KRYKTFGGSNXPFO-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 51.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine?

The IUPAC name of 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine (CID 170183004) is 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine.

What is the SMILES notation for 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine?

The canonical SMILES for 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c5cccc-4c35)cc2)cc1.

What is the InChIKey of 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine?

The InChIKey is KRYKTFGGSNXPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-4-13-35(14-5-1)37-25-27-42(28-26-37)57(41-19-8-3-9-20-41)43-29-30-44-45-21-12-22-46-47(31-32-48(50(45)46)58-49(44)34-43)53-55-51(38-16-6-2-7-17-38)54-52(56-53)40-24-23-36-15-10-11-18-39(36)33-40/h1-34H.

What are the key properties of 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine?

12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine has a molecular weight of 742.88 g/mol, XLogP of 14.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine is sourced from PubChem (CID 170183004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).