4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine

C52H36N2O — CID 168855786

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

4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (PubChem CID 168855786) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.

Molecular Properties

• Compound Name: 4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
• PubChem CID: 168855786
• Molecular Formula: C52H36N2O
• Molecular Weight: 704.87 g/mol
• Exact Mass: 704.28
• IUPAC Name: 4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5cccc6c5c4Oc4ccc(N(c5ccccc5)c5ccccc5)cc4-6)cc3)cc2)cc1
• InChI: InChI=1S/C52H36N2O/c1-5-14-37(15-6-1)38-24-26-39(27-25-38)40-28-31-45(32-29-40)54(44-21-11-4-12-22-44)49-34-30-41-16-13-23-47-48-36-46(33-35-50(48)55-52(49)51(41)47)53(42-17-7-2-8-18-42)43-19-9-3-10-20-43/h1-36H
• InChIKey: SYMDMPOFOBHUSC-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.87
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (CID 168855786) is 4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.

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

The canonical SMILES for 4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5cccc6c5c4Oc4ccc(N(c5ccccc5)c5ccccc5)cc4-6)cc3)cc2)cc1.

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

The InChIKey is SYMDMPOFOBHUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-5-14-37(15-6-1)38-24-26-39(27-25-38)40-28-31-45(32-29-40)54(44-21-11-4-12-22-44)49-34-30-41-16-13-23-47-48-36-46(33-35-50(48)55-52(49)51(41)47)53(42-17-7-2-8-18-42)43-19-9-3-10-20-43/h1-36H.

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

4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine has a molecular weight of 704.87 g/mol, XLogP of 14.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-N,10-N-triphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is sourced from PubChem (CID 168855786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).