10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine

C36H24N8OS — CID 129289397

About 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine

10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine (PubChem CID 129289397) has the molecular formula C36H24N8OS and a molecular weight of 616.71 g/mol. Its IUPAC name is 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine.

Molecular Properties

• Compound Name: 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine
• PubChem CID: 129289397
• Molecular Formula: C36H24N8OS
• Molecular Weight: 616.71 g/mol
• Exact Mass: 616.18
• IUPAC Name: 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine
• SMILES: Cc1nnc2c3nnc(C)n3c3cc(N4c5ccccc5Sc5ccccc54)c(N4c5ccccc5Oc5ccccc54)cc3n12
• InChI: InChI=1S/C36H24N8OS/c1-21-37-39-35-36-40-38-22(2)42(36)28-20-30(44-25-13-5-9-17-33(25)46-34-18-10-6-14-26(34)44)29(19-27(28)41(21)35)43-23-11-3-7-15-31(23)45-32-16-8-4-12-24(32)43/h3-20H,1-2H3
• InChIKey: KOZUEAWRUVGYBN-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 76.09 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.71
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine?

The IUPAC name of 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine (CID 129289397) is 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine.

What is the SMILES notation for 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine?

The canonical SMILES for 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine is Cc1nnc2c3nnc(C)n3c3cc(N4c5ccccc5Sc5ccccc54)c(N4c5ccccc5Oc5ccccc54)cc3n12.

What is the InChIKey of 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine?

The InChIKey is KOZUEAWRUVGYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N8OS/c1-21-37-39-35-36-40-38-22(2)42(36)28-20-30(44-25-13-5-9-17-33(25)46-34-18-10-6-14-26(34)44)29(19-27(28)41(21)35)43-23-11-3-7-15-31(23)45-32-16-8-4-12-24(32)43/h3-20H,1-2H3.

What are the key properties of 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine?

10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine has a molecular weight of 616.71 g/mol, XLogP of 9.05, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(3,10-dimethyl-15-phenothiazin-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-14-yl)phenoxazine is sourced from PubChem (CID 129289397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).