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

C59H35N5O2 — CID 146654377

IUPAC5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cccc2c1C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3O2)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C59H35N5O2/c1-5-20-45-38(15-1)39-16-2-6-21-46(39)62(45)36-30-31-42-55(34-36)66-54-29-13-26-51(64-49-24-9-11-27-52(49)65-53-28-12-10-25-50(53)64)56(54)59(42)43-19-14-32-60-57(43)58-44(59)33-37(35-61-58)63-47-22-7-3-17-40(47)41-18-4-8-23-48(41)63/h1-35H
InChIKeyOSEWQQOVDRJQIL-UHFFFAOYSA-N
MW845.96 g/mol
LogP14.72
Rot. Bonds3

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

5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146654377) has the molecular formula C59H35N5O2 and a molecular weight of 845.96 g/mol. Its IUPAC name is 5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

Compound Name5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID146654377
Molecular FormulaC59H35N5O2
Molecular Weight845.96 g/mol
Exact Mass845.28
IUPAC Name5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cccc2c1C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3O2)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C59H35N5O2/c1-5-20-45-38(15-1)39-16-2-6-21-46(39)62(45)36-30-31-42-55(34-36)66-54-29-13-26-51(64-49-24-9-11-27-52(49)65-53-28-12-10-25-50(53)64)56(54)59(42)43-19-14-32-60-57(43)58-44(59)33-37(35-61-58)63-47-22-7-3-17-40(47)41-18-4-8-23-48(41)63/h1-35H
InChIKeyOSEWQQOVDRJQIL-UHFFFAOYSA-N
XLogP14.72
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.96
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The IUPAC name of 5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146654377) is 5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].
What is the SMILES notation for 5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The canonical SMILES for 5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1N2c1cccc2c1C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3O2)c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The InChIKey is OSEWQQOVDRJQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O2/c1-5-20-45-38(15-1)39-16-2-6-21-46(39)62(45)36-30-31-42-55(34-36)66-54-29-13-26-51(64-49-24-9-11-27-52(49)65-53-28-12-10-25-50(53)64)56(54)59(42)43-19-14-32-60-57(43)58-44(59)33-37(35-61-58)63-47-22-7-3-17-40(47)41-18-4-8-23-48(41)63/h1-35H.
What are the key properties of 5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] has a molecular weight of 845.96 g/mol, XLogP of 14.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6'-di(carbazol-9-yl)-1'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is sourced from PubChem (CID 146654377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).