10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine

C47H28N4OS — CID 152992247

IUPAC10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cccc2c1Sc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C47H28N4OS/c1-4-18-36-30(13-1)31-14-2-5-19-37(31)50(36)29-27-35-45(49-28-29)44-33(17-12-26-48-44)47(35)32-15-3-10-25-43(32)53-46-34(47)16-11-22-40(46)51-38-20-6-8-23-41(38)52-42-24-9-7-21-39(42)51/h1-28H
InChIKeyUWMWSNQEUVPVSG-UHFFFAOYSA-N
MW696.84 g/mol
LogP11.98
Rot. Bonds2

About 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine

10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine (PubChem CID 152992247) has the molecular formula C47H28N4OS and a molecular weight of 696.84 g/mol. Its IUPAC name is 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine.

Molecular Properties

Compound Name10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine
PubChem CID152992247
Molecular FormulaC47H28N4OS
Molecular Weight696.84 g/mol
Exact Mass696.20
IUPAC Name10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cccc2c1Sc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C47H28N4OS/c1-4-18-36-30(13-1)31-14-2-5-19-37(31)50(36)29-27-35-45(49-28-29)44-33(17-12-26-48-44)47(35)32-15-3-10-25-43(32)53-46-34(47)16-11-22-40(46)51-38-20-6-8-23-41(38)52-42-24-9-7-21-39(42)51/h1-28H
InChIKeyUWMWSNQEUVPVSG-UHFFFAOYSA-N
XLogP11.98
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.84
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine with MolForge

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Related Compounds

(2Z)-2-[(E)-3-(1-benzylquinolin-1-ium-4-yl)prop-2-enylidene]-3-(2-phenoxyethyl)-1,3-benzothiazole
CID 44132025
10-[5-(4-Carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine
CID 59372059
3-(2-Phenoxyethyl)-2-[5-[1-(2-phenoxyethyl)quinolin-1-ium-4-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazole
CID 59958483
2-[3-(1-Benzylquinolin-1-ium-4-yl)prop-2-enylidene]-3-(2-phenoxyethyl)-1,3-benzothiazole
CID 74929905
10-[9-(5,5-Dimethylindeno[1,2-b]pyridin-8-yl)carbazol-3-yl]phenoxazine
CID 117726988
10-[4-[9-(3-Phenylphenyl)-[1]benzothiolo[3,2-g]indol-1-yl]phenyl]phenoxazine
CID 123686351
10-(7'-Phenoxazin-10-yl-10'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-2'-yl)phenoxazine
CID 124194985
10-(10'-Phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-2'-yl)phenoxazine
CID 124195013
7'-(4-phenoxazin-10-ylphenyl)-N,N,10'-triphenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-2'-amine
CID 124195023
10-[4-[7'-(4-Carbazol-9-ylphenyl)-10'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-2'-yl]phenyl]phenoxazine
CID 124195024
10-[5-[7'-(5-Phenoxazin-10-ylthiophen-2-yl)-10'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-2'-yl]thiophen-2-yl]phenoxazine
CID 124195040
10-(4-Spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]-10'-ylphenyl)phenoxazine
CID 124195043

Frequently Asked Questions

What is the IUPAC name of 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine?
The IUPAC name of 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine (CID 152992247) is 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine.
What is the SMILES notation for 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine?
The canonical SMILES for 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cccc2c1Sc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine?
The InChIKey is UWMWSNQEUVPVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4OS/c1-4-18-36-30(13-1)31-14-2-5-19-37(31)50(36)29-27-35-45(49-28-29)44-33(17-12-26-48-44)47(35)32-15-3-10-25-43(32)53-46-34(47)16-11-22-40(46)51-38-20-6-8-23-41(38)52-42-24-9-7-21-39(42)51/h1-28H.
What are the key properties of 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine?
10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine has a molecular weight of 696.84 g/mol, XLogP of 11.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-4'-yl)phenoxazine is sourced from PubChem (CID 152992247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).