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

C48H30N6O2 — CID 129289387

IUPAC10-(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
SMILESc1ccc(-c2cnc3c4ncc(-c5ccccc5)n4c4cc(N5c6ccccc6Oc6ccccc65)c(N5c6ccccc6Oc6ccccc65)cc4n23)cc1
InChIInChI=1S/C48H30N6O2/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
InChIKeyIKNPUTAVNZBMGE-UHFFFAOYSA-N
MW722.81 g/mol
LogP12.62
Rot. Bonds4

About 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

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 (PubChem CID 129289387) has the molecular formula C48H30N6O2 and a molecular weight of 722.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID129289387
Molecular FormulaC48H30N6O2
Molecular Weight722.81 g/mol
Exact Mass722.24
IUPAC Name10-(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
SMILESc1ccc(-c2cnc3c4ncc(-c5ccccc5)n4c4cc(N5c6ccccc6Oc6ccccc65)c(N5c6ccccc6Oc6ccccc65)cc4n23)cc1
InChIInChI=1S/C48H30N6O2/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
InChIKeyIKNPUTAVNZBMGE-UHFFFAOYSA-N
XLogP12.62
TPSA59.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.81
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine
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2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
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CID 56648862
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cnc3c4ncc(-c5ccccc5)n4c4cc(N5c6ccccc6Oc6ccccc65)c(N5c6ccccc6Oc6ccccc65)cc4n23)cc1.
What is the InChIKey of 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?
The InChIKey is IKNPUTAVNZBMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O2/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-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?
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 has a molecular weight of 722.81 g/mol, XLogP of 12.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129289387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).