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

C50H33NO — CID 174304899

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

2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 174304899) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 174304899
• Molecular Formula: C50H33NO
• Molecular Weight: 663.82 g/mol
• Exact Mass: 663.26
• IUPAC Name: 2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccccc3-c3cc4c5c(cccc5c3)Oc3ccccc3-4)c3ccccc3-c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C50H33NO/c1-2-14-34(15-3-1)35-28-30-39(31-29-35)51(47-25-10-7-21-43(47)42-23-12-17-36-16-4-5-19-40(36)42)46-24-9-6-20-41(46)38-32-37-18-13-27-49-50(37)45(33-38)44-22-8-11-26-48(44)52-49/h1-33H
• InChIKey: QWCYNYALYUIDHQ-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.82
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 174304899) is 2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline.

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

The canonical SMILES for 2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3-c3cc4c5c(cccc5c3)Oc3ccccc3-4)c3ccccc3-c3cccc4ccccc34)cc2)cc1.

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

The InChIKey is QWCYNYALYUIDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-14-34(15-3-1)35-28-30-39(31-29-35)51(47-25-10-7-21-43(47)42-23-12-17-36-16-4-5-19-40(36)42)46-24-9-6-20-41(46)38-32-37-18-13-27-49-50(37)45(33-38)44-22-8-11-26-48(44)52-49/h1-33H.

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

2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 663.82 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 174304899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).