10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine

C34H20N8O2 — CID 129289381

About 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine

10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine (PubChem CID 129289381) has the molecular formula C34H20N8O2 and a molecular weight of 572.59 g/mol. Its IUPAC name is 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine.

Molecular Properties

• Compound Name: 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
• PubChem CID: 129289381
• Molecular Formula: C34H20N8O2
• Molecular Weight: 572.59 g/mol
• Exact Mass: 572.17
• IUPAC Name: 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Oc3ccccc32)c2c1n1cnnc1c1nncn12
• InChI: InChI=1S/C34H20N8O2/c1-5-13-27-21(9-1)41(22-10-2-6-14-28(22)43-27)25-17-18-26(32-31(25)39-19-35-37-33(39)34-38-36-20-40(32)34)42-23-11-3-7-15-29(23)44-30-16-8-4-12-24(30)42/h1-20H
• InChIKey: KSNRSVSJHWWRKT-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 85.32 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.59
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine?

The IUPAC name of 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine (CID 129289381) is 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine.

What is the SMILES notation for 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine?

The canonical SMILES for 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Oc3ccccc32)c2c1n1cnnc1c1nncn12.

What is the InChIKey of 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine?

The InChIKey is KSNRSVSJHWWRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N8O2/c1-5-13-27-21(9-1)41(22-10-2-6-14-28(22)43-27)25-17-18-26(32-31(25)39-19-35-37-33(39)34-38-36-20-40(32)34)42-23-11-3-7-15-29(23)44-30-16-8-4-12-24(30)42/h1-20H.

What are the key properties of 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine?

10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine has a molecular weight of 572.59 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(16-phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine is sourced from PubChem (CID 129289381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).