14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C44H28N2O — CID 129129186

About 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 129129186) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

• Compound Name: 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
• PubChem CID: 129129186
• Molecular Formula: C44H28N2O
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.22
• IUPAC Name: 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7cc8ccccc8cc7c56)c4)c3)cc2)cc1
• InChI: InChI=1S/C44H28N2O/c1-3-11-29(12-4-1)30-21-23-31(24-22-30)33-17-9-18-34(25-33)35-19-10-20-38(26-35)42-41-39-27-36-15-7-8-16-37(36)28-40(39)47-44(41)46-43(45-42)32-13-5-2-6-14-32/h1-28H
• InChIKey: SZBYKAOXTQDQPP-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The IUPAC name of 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 129129186) is 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

What is the SMILES notation for 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The canonical SMILES for 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6oc7cc8ccccc8cc7c56)c4)c3)cc2)cc1.

What is the InChIKey of 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The InChIKey is SZBYKAOXTQDQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-3-11-29(12-4-1)30-21-23-31(24-22-30)33-17-9-18-34(25-33)35-19-10-20-38(26-35)42-41-39-27-36-15-7-8-16-37(36)28-40(39)47-44(41)46-43(45-42)32-13-5-2-6-14-32/h1-28H.

What are the key properties of 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 600.72 g/mol, XLogP of 11.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-12-[3-[3-(4-phenylphenyl)phenyl]phenyl]-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 129129186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).