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

C76H44N8O2S2 — CID 145413591

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

10-(6-phenothiazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenothiazine;10-(6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine (PubChem CID 145413591) has the molecular formula C76H44N8O2S2 and a molecular weight of 1165.38 g/mol. Its IUPAC name is 10-(6-phenothiazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenothiazine;10-(6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine.

Molecular Properties

• Compound Name: 10-(6-phenothiazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenothiazine;10-(6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine
• PubChem CID: 145413591
• Molecular Formula: C76H44N8O2S2
• Molecular Weight: 1165.38 g/mol
• Exact Mass: 1164.30
• IUPAC Name: 10-(6-phenothiazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenothiazine;10-(6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1N2c1ccc2c3c(ccc(N4c5ccccc5Oc5ccccc54)c13)-c1nccnc1-2.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c3c(ccc(N4c5ccccc5Sc5ccccc54)c13)-c1nccnc1-2
• InChI: InChI=1S/C38H22N4O2.C38H22N4S2/c2*1-5-13-31-25(9-1)41(26-10-2-6-14-32(26)43-31)29-19-17-23-35-24(38-37(23)39-21-22-40-38)18-20-30(36(29)35)42-27-11-3-7-15-33(27)44-34-16-8-4-12-28(34)42/h2*1-22H
• InChIKey: UQVMJMSBEZLQSA-UHFFFAOYSA-N
• XLogP: 21.57
• TPSA: 82.98 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1165.38
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 10-(6-phenothiazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenothiazine;10-(6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine (CID 145413591) is 10-(6-phenothiazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenothiazine;10-(6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine.

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

The canonical SMILES for 10-(6-phenothiazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenothiazine;10-(6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c3c(ccc(N4c5ccccc5Oc5ccccc54)c13)-c1nccnc1-2.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c3c(ccc(N4c5ccccc5Sc5ccccc54)c13)-c1nccnc1-2.

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

The InChIKey is UQVMJMSBEZLQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2.C38H22N4S2/c2*1-5-13-31-25(9-1)41(26-10-2-6-14-32(26)43-31)29-19-17-23-35-24(38-37(23)39-21-22-40-38)18-20-30(36(29)35)42-27-11-3-7-15-33(27)44-34-16-8-4-12-28(34)42/h2*1-22H.

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

10-(6-phenothiazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenothiazine;10-(6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine has a molecular weight of 1165.38 g/mol, XLogP of 21.57, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(6-phenothiazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenothiazine;10-(6-phenoxazin-10-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)phenoxazine is sourced from PubChem (CID 145413591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).