10-(15-phenothiazin-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

C48H30N6OS — CID 129289388

IUPAC10-(15-phenothiazin-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
SMILESc1ccc(-c2cnc3c4ncc(-c5ccccc5)n4c4cc(N5c6ccccc6Sc6ccccc65)c(N5c6ccccc6Oc6ccccc65)cc4n23)cc1
InChIInChI=1S/C48H30N6OS/c1-3-15-31(16-4-1)41-29-49-47-48-50-30-42(32-17-5-2-6-18-32)54(48)40-28-38(52-35-21-9-13-25-45(35)56-46-26-14-10-22-36(46)52)37(27-39(40)53(41)47)51-33-19-7-11-23-43(33)55-44-24-12-8-20-34(44)51/h1-30H
InChIKeyOXNFWNNHVSLMBS-UHFFFAOYSA-N
MW738.88 g/mol
LogP12.98
Rot. Bonds4

About 10-(15-phenothiazin-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

10-(15-phenothiazin-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 (PubChem CID 129289388) has the molecular formula C48H30N6OS and a molecular weight of 738.88 g/mol. Its IUPAC name is 10-(15-phenothiazin-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.

Molecular Properties

Compound Name10-(15-phenothiazin-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
PubChem CID129289388
Molecular FormulaC48H30N6OS
Molecular Weight738.88 g/mol
Exact Mass738.22
IUPAC Name10-(15-phenothiazin-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
SMILESc1ccc(-c2cnc3c4ncc(-c5ccccc5)n4c4cc(N5c6ccccc6Sc6ccccc65)c(N5c6ccccc6Oc6ccccc65)cc4n23)cc1
InChIInChI=1S/C48H30N6OS/c1-3-15-31(16-4-1)41-29-49-47-48-50-30-42(32-17-5-2-6-18-32)54(48)40-28-38(52-35-21-9-13-25-45(35)56-46-26-14-10-22-36(46)52)37(27-39(40)53(41)47)51-33-19-7-11-23-43(33)55-44-24-12-8-20-34(44)51/h1-30H
InChIKeyOXNFWNNHVSLMBS-UHFFFAOYSA-N
XLogP12.98
TPSA50.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.88
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-(15-phenothiazin-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 with MolForge

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Related Compounds

10-[8-(3,6-Diphenylimidazo[4,5-b]pyridin-2-yl)-3lambda4,7-dithia-2,4-diazabicyclo[3.3.0]octa-1(8),2,3,5-tetraen-6-yl]phenoxazine
CID 10121304
(2E)-3-methyl-2-[[2-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]methylidene]-1,3-benzoxazole
CID 58301315
3-Methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]methylidene]-1,3-benzoxazole
CID 68165720
10-[2-(11-Phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]phenoxazine
CID 117862558
10-[2-[14-(3-Phenoxazin-10-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-5-yl]phenoxazine
CID 117862757
10-[3-(4,6-Diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528538
10-[3-(2,6-Diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
10-[4-[2-(4-Phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine
CID 118532499
10-(4-Phenoxazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenoxazine
CID 118532566
10-(4-Phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine
CID 118532577
10-[4-[2-(4-Phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine
CID 118532581
10-[4-(5,6-Diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine
CID 118532609

Frequently Asked Questions

What is the IUPAC name of 10-(15-phenothiazin-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?
The IUPAC name of 10-(15-phenothiazin-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 129289388) is 10-(15-phenothiazin-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.
What is the SMILES notation for 10-(15-phenothiazin-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?
The canonical SMILES for 10-(15-phenothiazin-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 is c1ccc(-c2cnc3c4ncc(-c5ccccc5)n4c4cc(N5c6ccccc6Sc6ccccc65)c(N5c6ccccc6Oc6ccccc65)cc4n23)cc1.
What is the InChIKey of 10-(15-phenothiazin-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?
The InChIKey is OXNFWNNHVSLMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6OS/c1-3-15-31(16-4-1)41-29-49-47-48-50-30-42(32-17-5-2-6-18-32)54(48)40-28-38(52-35-21-9-13-25-45(35)56-46-26-14-10-22-36(46)52)37(27-39(40)53(41)47)51-33-19-7-11-23-43(33)55-44-24-12-8-20-34(44)51/h1-30H.
What are the key properties of 10-(15-phenothiazin-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?
10-(15-phenothiazin-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 has a molecular weight of 738.88 g/mol, XLogP of 12.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(15-phenothiazin-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 is sourced from PubChem (CID 129289388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).