2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one

C43H26N2O3S — CID 142288504

IUPAC2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccc4c(c3)Sc3ccc(N5c6ccccc6Oc6ccccc65)cc3N4c3ccccc3)cc12
InChIInChI=1S/C43H26N2O3S/c46-43-31-12-4-7-15-37(31)47-38-22-19-27(24-32(38)43)28-18-21-35-42(25-28)49-41-23-20-30(26-36(41)44(35)29-10-2-1-3-11-29)45-33-13-5-8-16-39(33)48-40-17-9-6-14-34(40)45/h1-26H
InChIKeyYEZSEMDACAAVRX-UHFFFAOYSA-N
MW650.76 g/mol
LogP12.12
Rot. Bonds3

About 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one

2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one (PubChem CID 142288504) has the molecular formula C43H26N2O3S and a molecular weight of 650.76 g/mol. Its IUPAC name is 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one.

Molecular Properties

Compound Name2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one
PubChem CID142288504
Molecular FormulaC43H26N2O3S
Molecular Weight650.76 g/mol
Exact Mass650.17
IUPAC Name2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccc4c(c3)Sc3ccc(N5c6ccccc6Oc6ccccc65)cc3N4c3ccccc3)cc12
InChIInChI=1S/C43H26N2O3S/c46-43-31-12-4-7-15-37(31)47-38-22-19-27(24-32(38)43)28-18-21-35-42(25-28)49-41-23-20-30(26-36(41)44(35)29-10-2-1-3-11-29)45-33-13-5-8-16-39(33)48-40-17-9-6-14-34(40)45/h1-26H
InChIKeyYEZSEMDACAAVRX-UHFFFAOYSA-N
XLogP12.12
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.76
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-phenothiazin-10-ylxanthen-9-one
CID 130397701
2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
CID 164765277
8-(10-phenylphenoxazin-3-yl)benzo[c]chromen-6-one
CID 121242285
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
3-dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenothiazine
CID 71003998
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
2,8-di(dibenzofuran-2-yl)-10-phenylphenoxazine
CID 126612197
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
14'-phenylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,10'-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-21-one
CID 164757668
2-[3-[3-(13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]xanthen-9-one
CID 177106384
3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine
CID 147850677
3,6-di(spiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)xanthen-9-one;3-(4-spiro[acridine-9,9'-thioxanthene]-10-ylphenyl)xanthen-9-one;3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 159218608

Frequently Asked Questions

What is the IUPAC name of 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one?
The IUPAC name of 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one (CID 142288504) is 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one.
What is the SMILES notation for 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one?
The canonical SMILES for 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one is O=c1c2ccccc2oc2ccc(-c3ccc4c(c3)Sc3ccc(N5c6ccccc6Oc6ccccc65)cc3N4c3ccccc3)cc12.
What is the InChIKey of 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one?
The InChIKey is YEZSEMDACAAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O3S/c46-43-31-12-4-7-15-37(31)47-38-22-19-27(24-32(38)43)28-18-21-35-42(25-28)49-41-23-20-30(26-36(41)44(35)29-10-2-1-3-11-29)45-33-13-5-8-16-39(33)48-40-17-9-6-14-34(40)45/h1-26H.
What are the key properties of 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one?
2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one has a molecular weight of 650.76 g/mol, XLogP of 12.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one is sourced from PubChem (CID 142288504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).