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

C24H15N5O — CID 129289409

IUPAC10-(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)Oc1ccccc1N2c1ccc2c(c1)n1ccnc1c1nccn21
InChIInChI=1S/C24H15N5O/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/h1-15H
InChIKeyFERSBPCBGCQUBR-UHFFFAOYSA-N
MW389.42 g/mol
LogP5.71
Rot. Bonds1

About 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-(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 129289409) has the molecular formula C24H15N5O and a molecular weight of 389.42 g/mol. Its IUPAC name is 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-(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 CID129289409
Molecular FormulaC24H15N5O
Molecular Weight389.42 g/mol
Exact Mass389.13
IUPAC Name10-(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)Oc1ccccc1N2c1ccc2c(c1)n1ccnc1c1nccn21
InChIInChI=1S/C24H15N5O/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/h1-15H
InChIKeyFERSBPCBGCQUBR-UHFFFAOYSA-N
XLogP5.71
TPSA47.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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

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4-(Imidazo[1,2-a]pyrimidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
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2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
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8-amino-4H-imidazo[2,1-c][1,4]-benzoxazine
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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

Frequently Asked Questions

What is the IUPAC name of 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-(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) is 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-(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-(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)Oc1ccccc1N2c1ccc2c(c1)n1ccnc1c1nccn21.
What is the InChIKey of 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 FERSBPCBGCQUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5O/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/h1-15H.
What are the key properties of 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-(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 389.42 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 129289409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).