10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine

C34H20N4O2S — CID 155224050

IUPAC10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc2sc3cc(N4c5ccccc5Oc5ccccc54)ncc3c2cn1
InChIInChI=1S/C34H20N4O2S/c1-5-13-27-23(9-1)37(24-10-2-6-14-28(24)39-27)33-17-31-21(19-35-33)22-20-36-34(18-32(22)41-31)38-25-11-3-7-15-29(25)40-30-16-8-4-12-26(30)38/h1-20H
InChIKeyDKQKNNIJQOJIFN-UHFFFAOYSA-N
MW548.63 g/mol
LogP10.00
Rot. Bonds2

About 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine

10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine (PubChem CID 155224050) has the molecular formula C34H20N4O2S and a molecular weight of 548.63 g/mol. Its IUPAC name is 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine.

Molecular Properties

Compound Name10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine
PubChem CID155224050
Molecular FormulaC34H20N4O2S
Molecular Weight548.63 g/mol
Exact Mass548.13
IUPAC Name10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc2sc3cc(N4c5ccccc5Oc5ccccc54)ncc3c2cn1
InChIInChI=1S/C34H20N4O2S/c1-5-13-27-23(9-1)37(24-10-2-6-14-28(24)39-27)33-17-31-21(19-35-33)22-20-36-34(18-32(22)41-31)38-25-11-3-7-15-29(25)40-30-16-8-4-12-26(30)38/h1-20H
InChIKeyDKQKNNIJQOJIFN-UHFFFAOYSA-N
XLogP10.00
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.63
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine?
The IUPAC name of 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine (CID 155224050) is 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine.
What is the SMILES notation for 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine?
The canonical SMILES for 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc2sc3cc(N4c5ccccc5Oc5ccccc54)ncc3c2cn1.
What is the InChIKey of 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine?
The InChIKey is DKQKNNIJQOJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O2S/c1-5-13-27-23(9-1)37(24-10-2-6-14-28(24)39-27)33-17-31-21(19-35-33)22-20-36-34(18-32(22)41-31)38-25-11-3-7-15-29(25)40-30-16-8-4-12-26(30)38/h1-20H.
What are the key properties of 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine?
10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine has a molecular weight of 548.63 g/mol, XLogP of 10.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(11-phenoxazin-10-yl-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-yl)phenoxazine is sourced from PubChem (CID 155224050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).