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

C40H28N2O — CID 168855554

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

5-N,5-N,10-N,10-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine (PubChem CID 168855554) has the molecular formula C40H28N2O and a molecular weight of 552.68 g/mol. Its IUPAC name is 5-N,5-N,10-N,10-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine.

Molecular Properties

• Compound Name: 5-N,5-N,10-N,10-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
• PubChem CID: 168855554
• Molecular Formula: C40H28N2O
• Molecular Weight: 552.68 g/mol
• Exact Mass: 552.22
• IUPAC Name: 5-N,5-N,10-N,10-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2c(N(c4ccccc4)c4ccccc4)ccc4cccc-3c24)cc1
• InChI: InChI=1S/C40H28N2O/c1-5-15-30(16-6-1)41(31-17-7-2-8-18-31)34-25-26-35-36-23-13-14-29-24-27-37(40(39(29)36)43-38(35)28-34)42(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-28H
• InChIKey: LTZNJTDFQNMPCO-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.68
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-N,5-N,10-N,10-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine (CID 168855554) is 5-N,5-N,10-N,10-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine.

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

The canonical SMILES for 5-N,5-N,10-N,10-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2c(N(c4ccccc4)c4ccccc4)ccc4cccc-3c24)cc1.

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

The InChIKey is LTZNJTDFQNMPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O/c1-5-15-30(16-6-1)41(31-17-7-2-8-18-31)34-25-26-35-36-23-13-14-29-24-27-37(40(39(29)36)43-38(35)28-34)42(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-28H.

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

5-N,5-N,10-N,10-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine has a molecular weight of 552.68 g/mol, XLogP of 11.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,5-N,10-N,10-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine is sourced from PubChem (CID 168855554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).