10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole

C44H38N8OS — CID 158295772

IUPAC10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole
SMILESC1=CC2Nc3ccccc3SC2C=C1.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)[nH]c1nccnc12.c1cnc2c3c([nH]c2n1)CCCC3
InChIInChI=1S/C12H9NO.C12H11NS.C10H11N3.C10H7N3/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9/h1-8,13H;1-9,11,13H;5-6H,1-4H2,(H,12,13);1-6H,(H,12,13)
InChIKeyGLWSFJZTXJYLRC-UHFFFAOYSA-N
MW726.91 g/mol
LogP10.55
Rot. Bonds

About 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole

10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole (PubChem CID 158295772) has the molecular formula C44H38N8OS and a molecular weight of 726.91 g/mol. Its IUPAC name is 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole.

Molecular Properties

Compound Name10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole
PubChem CID158295772
Molecular FormulaC44H38N8OS
Molecular Weight726.91 g/mol
Exact Mass726.29
IUPAC Name10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole
SMILESC1=CC2Nc3ccccc3SC2C=C1.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)[nH]c1nccnc12.c1cnc2c3c([nH]c2n1)CCCC3
InChIInChI=1S/C12H9NO.C12H11NS.C10H11N3.C10H7N3/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9/h1-8,13H;1-9,11,13H;5-6H,1-4H2,(H,12,13);1-6H,(H,12,13)
InChIKeyGLWSFJZTXJYLRC-UHFFFAOYSA-N
XLogP10.55
TPSA116.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.91
LogP ≤ 510.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole with MolForge

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Related Compounds

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3-[4-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-2H-1,3-benzothiazol-2-amine
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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
10-[2,6-Bis(1-dibenzothiophen-1-ylpyrrolo[2,3-b]pyridin-2-yl)-4-pyridinyl]phenoxazine
CID 137434111
3-[4-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-2H-1,3-benzothiazole
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1-[6-(9H-carbazol-1-yl)-2-(10H-phenothiazin-1-yl)-4-(7H-purin-2-yl)-4-quinazolin-2-yl-5-quinoxalin-2-yl-3-(9H-xanthen-9-yl)cyclohexa-1,5-dien-1-yl]-10H-phenoxazine
CID 141387522
1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine
CID 141422689
3-(8-methoxy-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 152890402
10-[4-[8,11,13,15,17,20-Hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene-(4-phenoxazin-10-ylphenyl)methyl]phenyl]phenoxazine
CID 156233714
10-[4-[(4-Phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine
CID 156672850
benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157072930

Frequently Asked Questions

What is the IUPAC name of 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole?
The IUPAC name of 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole (CID 158295772) is 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole.
What is the SMILES notation for 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole?
The canonical SMILES for 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole is C1=CC2Nc3ccccc3SC2C=C1.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)[nH]c1nccnc12.c1cnc2c3c([nH]c2n1)CCCC3.
What is the InChIKey of 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole?
The InChIKey is GLWSFJZTXJYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.C12H11NS.C10H11N3.C10H7N3/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2*1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9/h1-8,13H;1-9,11,13H;5-6H,1-4H2,(H,12,13);1-6H,(H,12,13).
What are the key properties of 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole?
10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole has a molecular weight of 726.91 g/mol, XLogP of 10.55, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10a-dihydro-4aH-phenothiazine;10H-phenoxazine;5H-pyrazino[2,3-b]indole;6,7,8,9-tetrahydro-5H-pyrazino[2,3-b]indole is sourced from PubChem (CID 158295772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).