9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile

C60H34N6OS — CID 146654948

IUPAC9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3S2)c2cccnc2-c2ncc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C60H34N6OS/c61-34-36-26-29-49-42(31-36)41-15-3-6-19-48(41)66(49)52-22-11-25-55-57(52)60(43-28-27-37(33-56(43)68-55)64-46-17-4-1-13-39(46)40-14-2-5-18-47(40)64)44-16-12-30-62-58(44)59-45(60)32-38(35-63-59)65-50-20-7-9-23-53(50)67-54-24-10-8-21-51(54)65/h1-33,35H
InChIKeyACUQQDLIFSZBOZ-UHFFFAOYSA-N
MW887.04 g/mol
LogP14.95
Rot. Bonds3

About 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile

9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile (PubChem CID 146654948) has the molecular formula C60H34N6OS and a molecular weight of 887.04 g/mol. Its IUPAC name is 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile
PubChem CID146654948
Molecular FormulaC60H34N6OS
Molecular Weight887.04 g/mol
Exact Mass886.25
IUPAC Name9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3S2)c2cccnc2-c2ncc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C60H34N6OS/c61-34-36-26-29-49-42(31-36)41-15-3-6-19-48(41)66(49)52-22-11-25-55-57(52)60(43-28-27-37(33-56(43)68-55)64-46-17-4-1-13-39(46)40-14-2-5-18-47(40)64)44-16-12-30-62-58(44)59-45(60)32-38(35-63-59)65-50-20-7-9-23-53(50)67-54-24-10-8-21-51(54)65/h1-33,35H
InChIKeyACUQQDLIFSZBOZ-UHFFFAOYSA-N
XLogP14.95
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.04
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile with MolForge

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Related Compounds

9-(6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile
CID 146656175
9-(8'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl)carbazole-3,6-dicarbonitrile
CID 146656176
9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)-6-phenothiazin-10-ylcarbazole-3-carbonitrile
CID 146655749
9-[9-(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]-3'-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 146656157
9-(5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-1'-yl)carbazole-3,6-dicarbonitrile
CID 146655310
9-(1'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3-carbonitrile
CID 146654399
9-[8'-(3-cyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile
CID 146654407
10-[5-(3-cyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl]phenothiazine-3-carbonitrile
CID 146654423
9-[9-[5-(3-cyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-2'-yl]carbazol-3-yl]carbazole-3-carbonitrile
CID 146654638
9-(10-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-ylphenothiazin-3-yl)carbazole-3,6-dicarbonitrile
CID 146655707
10-[9-[5,6'-di(carbazol-9-yl)-11-(3-cyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazol-3-yl]phenoxazine-3-carbonitrile
CID 146654551
9-[11-(3-cyanocarbazol-9-yl)-2'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl]carbazole-3-carbonitrile
CID 146655395

Frequently Asked Questions

What is the IUPAC name of 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile (CID 146654948) is 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3S2)c2cccnc2-c2ncc(N3c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile?
The InChIKey is ACUQQDLIFSZBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N6OS/c61-34-36-26-29-49-42(31-36)41-15-3-6-19-48(41)66(49)52-22-11-25-55-57(52)60(43-28-27-37(33-56(43)68-55)64-46-17-4-1-13-39(46)40-14-2-5-18-47(40)64)44-16-12-30-62-58(44)59-45(60)32-38(35-63-59)65-50-20-7-9-23-53(50)67-54-24-10-8-21-51(54)65/h1-33,35H.
What are the key properties of 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile?
9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile has a molecular weight of 887.04 g/mol, XLogP of 14.95, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6'-carbazol-9-yl-5-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-1'-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 146654948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).