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

C44H26N4O2 — CID 145413520

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

10-[3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-5-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 145413520) has the molecular formula C44H26N4O2 and a molecular weight of 642.72 g/mol. Its IUPAC name is 10-[3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-5-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
• PubChem CID: 145413520
• Molecular Formula: C44H26N4O2
• Molecular Weight: 642.72 g/mol
• Exact Mass: 642.21
• IUPAC Name: 10-[3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccc3c4c(cccc24)-c2nccnc2-3)cc(N2c3ccccc3Oc3ccccc32)c1
• InChI: InChI=1S/C44H26N4O2/c1-5-16-38-34(12-1)47(35-13-2-6-17-39(35)49-38)28-24-27(30-20-21-33-42-31(30)10-9-11-32(42)43-44(33)46-23-22-45-43)25-29(26-28)48-36-14-3-7-18-40(36)50-41-19-8-4-15-37(41)48/h1-26H
• InChIKey: BVIQWKKJOXFKHO-UHFFFAOYSA-N
• XLogP: 12.10
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.72
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 10-[3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-5-phenoxazin-10-ylphenyl]phenoxazine (CID 145413520) is 10-[3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-5-phenoxazin-10-ylphenyl]phenoxazine.

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

The canonical SMILES for 10-[3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-5-phenoxazin-10-ylphenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccc3c4c(cccc24)-c2nccnc2-3)cc(N2c3ccccc3Oc3ccccc32)c1.

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

The InChIKey is BVIQWKKJOXFKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2/c1-5-16-38-34(12-1)47(35-13-2-6-17-39(35)49-38)28-24-27(30-20-21-33-42-31(30)10-9-11-32(42)43-44(33)46-23-22-45-43)25-29(26-28)48-36-14-3-7-18-40(36)50-41-19-8-4-15-37(41)48/h1-26H.

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

10-[3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-5-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 642.72 g/mol, XLogP of 12.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-5-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 145413520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).