2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione

C32H17NO5 — CID 164765277

IUPAC2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
SMILESO=c1c2ccccc2oc2cc3oc4ccc(N5c6ccccc6Oc6ccccc65)cc4c(=O)c3cc12
InChIInChI=1S/C32H17NO5/c34-31-19-7-1-4-10-25(19)36-29-17-30-22(16-21(29)31)32(35)20-15-18(13-14-26(20)37-30)33-23-8-2-5-11-27(23)38-28-12-6-3-9-24(28)33/h1-17H
InChIKeyQBTKPWIQMAVROO-UHFFFAOYSA-N
MW495.49 g/mol
LogP7.78
Rot. Bonds1

About 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione

2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione (PubChem CID 164765277) has the molecular formula C32H17NO5 and a molecular weight of 495.49 g/mol. Its IUPAC name is 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione.

Molecular Properties

Compound Name2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
PubChem CID164765277
Molecular FormulaC32H17NO5
Molecular Weight495.49 g/mol
Exact Mass495.11
IUPAC Name2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
SMILESO=c1c2ccccc2oc2cc3oc4ccc(N5c6ccccc6Oc6ccccc65)cc4c(=O)c3cc12
InChIInChI=1S/C32H17NO5/c34-31-19-7-1-4-10-25(19)36-29-17-30-22(16-21(29)31)32(35)20-15-18(13-14-26(20)37-30)33-23-8-2-5-11-27(23)38-28-12-6-3-9-24(28)33/h1-17H
InChIKeyQBTKPWIQMAVROO-UHFFFAOYSA-N
XLogP7.78
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.49
LogP ≤ 57.78
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

3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765363
2-phenothiazin-10-ylxanthen-9-one
CID 130397701
2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one
CID 142288504
3-(17,25-dimethyl-8-oxa-21-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2,4,6,9,11,13,15(20),16,18,23,25-dodecaen-21-yl)xanthen-9-one
CID 121420467
8-phenoxazin-10-yl-21-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-14-one
CID 164758667
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
3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 121337039
10-[2-dibenzofuran-3-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-4-pyridinyl]phenoxazine
CID 154600142
2-[3-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)-7-(N-phenylanilino)phenoxazin-10-yl]xanthen-9-one
CID 142288449
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine
CID 164811782

Frequently Asked Questions

What is the IUPAC name of 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione?
The IUPAC name of 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione (CID 164765277) is 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione.
What is the SMILES notation for 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione?
The canonical SMILES for 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione is O=c1c2ccccc2oc2cc3oc4ccc(N5c6ccccc6Oc6ccccc65)cc4c(=O)c3cc12.
What is the InChIKey of 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione?
The InChIKey is QBTKPWIQMAVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17NO5/c34-31-19-7-1-4-10-25(19)36-29-17-30-22(16-21(29)31)32(35)20-15-18(13-14-26(20)37-30)33-23-8-2-5-11-27(23)38-28-12-6-3-9-24(28)33/h1-17H.
What are the key properties of 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione?
2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione has a molecular weight of 495.49 g/mol, XLogP of 7.78, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione is sourced from PubChem (CID 164765277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).