N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline

C54H35NO — CID 174306136

About N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline

N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline (PubChem CID 174306136) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline.

Molecular Properties

• Compound Name: N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline
• PubChem CID: 174306136
• Molecular Formula: C54H35NO
• Molecular Weight: 713.88 g/mol
• Exact Mass: 713.27
• IUPAC Name: N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline
• SMILES: c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2cc3c4c(cccc4c2)Oc2ccccc2-3)c1
• InChI: InChI=1S/C54H35NO/c1-2-14-39-32-40(27-26-36(39)12-1)37-28-30-44(31-29-37)55(45-18-9-16-41(34-45)47-22-10-15-38-13-3-4-19-46(38)47)51-23-7-5-20-48(51)43-33-42-17-11-25-53-54(42)50(35-43)49-21-6-8-24-52(49)56-53/h1-35H
• InChIKey: JWUZOARRIYVSKI-UHFFFAOYSA-N
• XLogP: 15.39
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.88
LogP ≤ 5	15.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline?

The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline (CID 174306136) is N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline.

What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline?

The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline is c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2cc3c4c(cccc4c2)Oc2ccccc2-3)c1.

What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline?

The InChIKey is JWUZOARRIYVSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-14-39-32-40(27-26-36(39)12-1)37-28-30-44(31-29-37)55(45-18-9-16-41(34-45)47-22-10-15-38-13-3-4-19-46(38)47)51-23-7-5-20-48(51)43-33-42-17-11-25-53-54(42)50(35-43)49-21-6-8-24-52(49)56-53/h1-35H.

What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline?

N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline has a molecular weight of 713.88 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline is sourced from PubChem (CID 174306136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).