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

C36H22N6O2 — CID 129289396

IUPAC10-(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
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Oc3ccccc32)c2c1n1ccnc1c1nccn12
InChIInChI=1S/C36H22N6O2/c1-5-13-29-23(9-1)41(24-10-2-6-14-30(24)43-29)27-17-18-28(34-33(27)39-21-19-37-35(39)36-38-20-22-40(34)36)42-25-11-3-7-15-31(25)44-32-16-8-4-12-26(32)42/h1-22H
InChIKeyLBATVUFJWXVGLK-UHFFFAOYSA-N
MW570.61 g/mol
LogP9.29
Rot. Bonds2

About 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

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 (PubChem CID 129289396) has the molecular formula C36H22N6O2 and a molecular weight of 570.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID129289396
Molecular FormulaC36H22N6O2
Molecular Weight570.61 g/mol
Exact Mass570.18
IUPAC Name10-(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
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Oc3ccccc32)c2c1n1ccnc1c1nccn12
InChIInChI=1S/C36H22N6O2/c1-5-13-29-23(9-1)41(24-10-2-6-14-30(24)43-29)27-17-18-28(34-33(27)39-21-19-37-35(39)36-38-20-22-40(34)36)42-25-11-3-7-15-31(25)44-32-16-8-4-12-26(32)42/h1-22H
InChIKeyLBATVUFJWXVGLK-UHFFFAOYSA-N
XLogP9.29
TPSA59.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.61
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-(4-Phenoxazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenoxazine
CID 118532566
2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126651414
10-[3,5-Bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
CID 129148037
10-[3,5-Bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
CID 129148040
10-[3-Phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148043
10-[3,5-Bis(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148051
10-[3-Phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
CID 129148053
10-[3-Phenoxazin-10-yl-5-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
CID 129148056
10-[3-Phenoxazin-10-yl-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148059
10-[3-[3-(3,4-Dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148228
10-[3-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-benzoxazin-4-yl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
CID 129150919

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Oc1ccccc1N2c1ccc(N2c3ccccc3Oc3ccccc32)c2c1n1ccnc1c1nccn12.
What is the InChIKey of 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?
The InChIKey is LBATVUFJWXVGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6O2/c1-5-13-29-23(9-1)41(24-10-2-6-14-30(24)43-29)27-17-18-28(34-33(27)39-21-19-37-35(39)36-38-20-22-40(34)36)42-25-11-3-7-15-31(25)44-32-16-8-4-12-26(32)42/h1-22H.
What are the key properties of 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?
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 has a molecular weight of 570.61 g/mol, XLogP of 9.29, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129289396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).