N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline

C66H43NO — CID 174305983

About N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline

N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline (PubChem CID 174305983) has the molecular formula C66H43NO and a molecular weight of 866.08 g/mol. Its IUPAC name is N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline.

Molecular Properties

• Compound Name: N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline
• PubChem CID: 174305983
• Molecular Formula: C66H43NO
• Molecular Weight: 866.08 g/mol
• Exact Mass: 865.33
• IUPAC Name: N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline
• SMILES: c1cc(-c2ccc3c4c(cccc24)-c2ccccc2O3)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c1
• InChI: InChI=1S/C66H43NO/c1-3-17-56-48(11-1)13-8-20-58(56)50-29-25-44(26-30-50)46-33-37-53(38-34-46)67(54-39-35-47(36-40-54)45-27-31-51(32-28-45)59-21-9-14-49-12-2-4-18-57(49)59)55-16-7-15-52(43-55)60-41-42-65-66-62(60)22-10-23-63(66)61-19-5-6-24-64(61)68-65/h1-43H
• InChIKey: SAYIOODRYGJBQT-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.08
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline (CID 174305983) is N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline.

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

The canonical SMILES for N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline is c1cc(-c2ccc3c4c(cccc24)-c2ccccc2O3)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c1.

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

The InChIKey is SAYIOODRYGJBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO/c1-3-17-56-48(11-1)13-8-20-58(56)50-29-25-44(26-30-50)46-33-37-53(38-34-46)67(54-39-35-47(36-40-54)45-27-31-51(32-28-45)59-21-9-14-49-12-2-4-18-57(49)59)55-16-7-15-52(43-55)60-41-42-65-66-62(60)22-10-23-63(66)61-19-5-6-24-64(61)68-65/h1-43H.

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

N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline has a molecular weight of 866.08 g/mol, XLogP of 18.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline is sourced from PubChem (CID 174305983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).