10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine

C50H30N4O2 — CID 145413590

About 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine

10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine (PubChem CID 145413590) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine
• PubChem CID: 145413590
• Molecular Formula: C50H30N4O2
• Molecular Weight: 718.82 g/mol
• Exact Mass: 718.24
• IUPAC Name: 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c4c3c2-c2nccnc2-4)cc1
• InChI: InChI=1S/C50H30N4O2/c1-5-13-42-38(9-1)53(39-10-2-6-14-43(39)55-42)34-23-17-31(18-24-34)36-27-21-33-22-28-37(48-46(33)47(36)49-50(48)52-30-29-51-49)32-19-25-35(26-20-32)54-40-11-3-7-15-44(40)56-45-16-8-4-12-41(45)54/h1-30H
• InChIKey: MSXWVINAVPCPRX-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.82
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine?

The IUPAC name of 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine (CID 145413590) is 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine.

What is the SMILES notation for 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine?

The canonical SMILES for 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccc3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c4c3c2-c2nccnc2-4)cc1.

What is the InChIKey of 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine?

The InChIKey is MSXWVINAVPCPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-5-13-42-38(9-1)53(39-10-2-6-14-43(39)55-42)34-23-17-31(18-24-34)36-27-21-33-22-28-37(48-46(33)47(36)49-50(48)52-30-29-51-49)32-19-25-35(26-20-32)54-40-11-3-7-15-44(40)56-45-16-8-4-12-41(45)54/h1-30H.

What are the key properties of 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine?

10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine has a molecular weight of 718.82 g/mol, XLogP of 13.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[8-(4-phenoxazin-10-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 145413590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).