10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine

C24H17N7O — CID 129289395

IUPAC10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine
SMILESCc1nnc2c3nnc(C)n3c3c(N4c5ccccc5Oc5ccccc54)cccc3n12
InChIInChI=1S/C24H17N7O/c1-14-25-27-23-24-28-26-15(2)30(24)22-18(29(14)23)10-7-11-19(22)31-16-8-3-5-12-20(16)32-21-13-6-4-9-17(21)31/h3-13H,1-2H3
InChIKeyUZUYMCSVJAHPKP-UHFFFAOYSA-N
MW419.45 g/mol
LogP5.12
Rot. Bonds1

About 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine

10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine (PubChem CID 129289395) has the molecular formula C24H17N7O and a molecular weight of 419.45 g/mol. Its IUPAC name is 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine.

Molecular Properties

Compound Name10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine
PubChem CID129289395
Molecular FormulaC24H17N7O
Molecular Weight419.45 g/mol
Exact Mass419.15
IUPAC Name10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine
SMILESCc1nnc2c3nnc(C)n3c3c(N4c5ccccc5Oc5ccccc54)cccc3n12
InChIInChI=1S/C24H17N7O/c1-14-25-27-23-24-28-26-15(2)30(24)22-18(29(14)23)10-7-11-19(22)31-16-8-3-5-12-20(16)32-21-13-6-4-9-17(21)31/h3-13H,1-2H3
InChIKeyUZUYMCSVJAHPKP-UHFFFAOYSA-N
XLogP5.12
TPSA72.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.45
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine with MolForge

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Related Compounds

5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 21478559
10-(5-Hexyl-1-phenyl-1,2,4-triazol-3-yl)phenoxazine
CID 121244910
10-(15-Phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine
CID 129289377
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
10-(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 129289382
10-(3,10-Dimethyl-15-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-14-yl)phenoxazine
CID 129289383
10-[3,10-Bis(3-methylphenyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl]phenoxazine
CID 129289386
10-(15-Phenoxazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine
CID 129289389
10-(15-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-14-yl)phenoxazine
CID 129289390
10-(16-Phenothiazin-10-yl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
CID 129289391
10-(16-Phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
CID 129289396
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

Frequently Asked Questions

What is the IUPAC name of 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine?
The IUPAC name of 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine (CID 129289395) is 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine.
What is the SMILES notation for 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine?
The canonical SMILES for 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine is Cc1nnc2c3nnc(C)n3c3c(N4c5ccccc5Oc5ccccc54)cccc3n12.
What is the InChIKey of 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine?
The InChIKey is UZUYMCSVJAHPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O/c1-14-25-27-23-24-28-26-15(2)30(24)22-18(29(14)23)10-7-11-19(22)31-16-8-3-5-12-20(16)32-21-13-6-4-9-17(21)31/h3-13H,1-2H3.
What are the key properties of 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine?
10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine has a molecular weight of 419.45 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,10-dimethyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine is sourced from PubChem (CID 129289395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).