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

C38H26N6O2 — CID 129289401

IUPAC10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine
SMILESCc1cnc2c3ncc(C)n3c3c(N4c5ccccc5Oc5ccccc54)cc(N4c5ccccc5Oc5ccccc54)cc3n12
InChIInChI=1S/C38H26N6O2/c1-23-21-39-37-38-40-22-24(2)42(38)36-30(41(23)37)19-25(43-26-11-3-7-15-32(26)45-33-16-8-4-12-27(33)43)20-31(36)44-28-13-5-9-17-34(28)46-35-18-10-6-14-29(35)44/h3-22H,1-2H3
InChIKeyJSHKWPGANGDNNR-UHFFFAOYSA-N
MW598.67 g/mol
LogP9.90
Rot. Bonds2

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

10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine (PubChem CID 129289401) has the molecular formula C38H26N6O2 and a molecular weight of 598.67 g/mol. Its IUPAC name is 10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[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-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine
PubChem CID129289401
Molecular FormulaC38H26N6O2
Molecular Weight598.67 g/mol
Exact Mass598.21
IUPAC Name10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine
SMILESCc1cnc2c3ncc(C)n3c3c(N4c5ccccc5Oc5ccccc54)cc(N4c5ccccc5Oc5ccccc54)cc3n12
InChIInChI=1S/C38H26N6O2/c1-23-21-39-37-38-40-22-24(2)42(38)36-30(41(23)37)19-25(43-26-11-3-7-15-32(26)45-33-16-8-4-12-27(33)43)20-31(36)44-28-13-5-9-17-34(28)46-35-18-10-6-14-29(35)44/h3-22H,1-2H3
InChIKeyJSHKWPGANGDNNR-UHFFFAOYSA-N
XLogP9.90
TPSA59.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.67
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[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

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Frequently Asked Questions

What is the IUPAC name of 10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[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-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine (CID 129289401) is 10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[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-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[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-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine is Cc1cnc2c3ncc(C)n3c3c(N4c5ccccc5Oc5ccccc54)cc(N4c5ccccc5Oc5ccccc54)cc3n12.
What is the InChIKey of 10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine?
The InChIKey is JSHKWPGANGDNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N6O2/c1-23-21-39-37-38-40-22-24(2)42(38)36-30(41(23)37)19-25(43-26-11-3-7-15-32(26)45-33-16-8-4-12-27(33)43)20-31(36)44-28-13-5-9-17-34(28)46-35-18-10-6-14-29(35)44/h3-22H,1-2H3.
What are the key properties of 10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine?
10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[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 598.67 g/mol, XLogP of 9.90, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,10-dimethyl-15-phenoxazin-10-yl-2,5,8,11-tetrazatetracyclo[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 129289401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).