N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine

C58H40N2O — CID 166900799

About N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine

N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine (PubChem CID 166900799) has the molecular formula C58H40N2O and a molecular weight of 780.97 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine
• PubChem CID: 166900799
• Molecular Formula: C58H40N2O
• Molecular Weight: 780.97 g/mol
• Exact Mass: 780.31
• IUPAC Name: N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4cccc6ccc(N(c7ccccc7)c7ccccc7)c(c46)O5)cc3)cc2)cc1
• InChI: InChI=1S/C58H40N2O/c1-5-14-41(15-6-1)43-24-32-50(33-25-43)59(51-34-26-44(27-35-51)42-16-7-2-8-17-42)52-36-28-45(29-37-52)47-31-39-56-54(40-47)53-23-13-18-46-30-38-55(58(61-56)57(46)53)60(48-19-9-3-10-20-48)49-21-11-4-12-22-49/h1-40H
• InChIKey: HRHWZOOSJHIGCB-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.97
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine?

The IUPAC name of N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine (CID 166900799) is N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine.

What is the SMILES notation for N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine?

The canonical SMILES for N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4cccc6ccc(N(c7ccccc7)c7ccccc7)c(c46)O5)cc3)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine?

The InChIKey is HRHWZOOSJHIGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O/c1-5-14-41(15-6-1)43-24-32-50(33-25-43)59(51-34-26-44(27-35-51)42-16-7-2-8-17-42)52-36-28-45(29-37-52)47-31-39-56-54(40-47)53-23-13-18-46-30-38-55(58(61-56)57(46)53)60(48-19-9-3-10-20-48)49-21-11-4-12-22-49/h1-40H.

What are the key properties of N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine?

N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine has a molecular weight of 780.97 g/mol, XLogP of 16.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-10-amine is sourced from PubChem (CID 166900799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).