10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine

C48H32N10O2 — CID 161072217

IUPAC10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2ccnc2)c(-n2ccnc2)c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)n1ccnc1c1nccn21
InChIInChI=1S/C24H15N5O.C24H17N5O/c1-3-7-21-18(5-1)29(19-6-2-4-8-22(19)30-21)16-9-10-17-20(15-16)28-14-12-26-24(28)23-25-11-13-27(17)23;1-3-7-23-20(5-1)29(21-6-2-4-8-24(21)30-23)18-9-10-19(27-13-11-25-16-27)22(15-18)28-14-12-26-17-28/h1-15H;1-17H
InChIKeyUEUPODGFGXNLDJ-UHFFFAOYSA-N
MW780.85 g/mol
LogP11.34
Rot. Bonds4

About 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine

10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine (PubChem CID 161072217) has the molecular formula C48H32N10O2 and a molecular weight of 780.85 g/mol. Its IUPAC name is 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine.

Molecular Properties

Compound Name10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
PubChem CID161072217
Molecular FormulaC48H32N10O2
Molecular Weight780.85 g/mol
Exact Mass780.27
IUPAC Name10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2ccnc2)c(-n2ccnc2)c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)n1ccnc1c1nccn21
InChIInChI=1S/C24H15N5O.C24H17N5O/c1-3-7-21-18(5-1)29(19-6-2-4-8-22(19)30-21)16-9-10-17-20(15-16)28-14-12-26-24(28)23-25-11-13-27(17)23;1-3-7-23-20(5-1)29(21-6-2-4-8-24(21)30-23)18-9-10-19(27-13-11-25-16-27)22(15-18)28-14-12-26-17-28/h1-15H;1-17H
InChIKeyUEUPODGFGXNLDJ-UHFFFAOYSA-N
XLogP11.34
TPSA95.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500780.85
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine with MolForge

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Related Compounds

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-(3,10-Dimethyl-15-phenothiazin-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 129289378
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-(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-(15-Phenoxazin-10-yl-3,10-diphenyl-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 129289387
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-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-(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 129289399
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
10-(3,10-Dimethyl-16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
CID 129289403
10-(2,5,8,11-Tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine
CID 129289409

Frequently Asked Questions

What is the IUPAC name of 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine?
The IUPAC name of 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine (CID 161072217) is 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine.
What is the SMILES notation for 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine?
The canonical SMILES for 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2ccnc2)c(-n2ccnc2)c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)n1ccnc1c1nccn21.
What is the InChIKey of 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine?
The InChIKey is UEUPODGFGXNLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5O.C24H17N5O/c1-3-7-21-18(5-1)29(19-6-2-4-8-22(19)30-21)16-9-10-17-20(15-16)28-14-12-26-24(28)23-25-11-13-27(17)23;1-3-7-23-20(5-1)29(21-6-2-4-8-24(21)30-23)18-9-10-19(27-13-11-25-16-27)22(15-18)28-14-12-26-17-28/h1-15H;1-17H.
What are the key properties of 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine?
10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine has a molecular weight of 780.85 g/mol, XLogP of 11.34, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,4-di(imidazol-1-yl)phenyl]phenoxazine;10-(2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine is sourced from PubChem (CID 161072217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).