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

C61H33N7O2 — CID 146655395

About 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

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 (PubChem CID 146655395) has the molecular formula C61H33N7O2 and a molecular weight of 895.98 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 146655395
• Molecular Formula: C61H33N7O2
• Molecular Weight: 895.98 g/mol
• Exact Mass: 895.27
• IUPAC Name: 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
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(N4c5ccccc5Oc5ccccc54)cc31)c1cc(-n3c4ccccc4c4cc(C#N)ccc43)cnc1-2
• InChI: InChI=1S/C61H33N7O2/c62-32-36-21-24-51-43(27-36)41-11-1-4-14-49(41)67(51)39-30-47-59(64-34-39)60-48(31-40(35-65-60)68-50-15-5-2-12-42(50)44-28-37(33-63)22-25-52(44)68)61(47)45-13-3-8-18-55(45)69-56-26-23-38(29-46(56)61)66-53-16-6-9-19-57(53)70-58-20-10-7-17-54(58)66/h1-31,34-35H
• InChIKey: CXUHHSVEFLGVQL-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 104.92 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.98
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(N4c5ccccc5Oc5ccccc54)cc31)c1cc(-n3c4ccccc4c4cc(C#N)ccc43)cnc1-2.

What is the InChIKey of 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?

The InChIKey is CXUHHSVEFLGVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H33N7O2/c62-32-36-21-24-51-43(27-36)41-11-1-4-14-49(41)67(51)39-30-47-59(64-34-39)60-48(31-40(35-65-60)68-50-15-5-2-12-42(50)44-28-37(33-63)22-25-52(44)68)61(47)45-13-3-8-18-55(45)69-56-26-23-38(29-46(56)61)66-53-16-6-9-19-57(53)70-58-20-10-7-17-54(58)66/h1-31,34-35H.

What are the key properties of 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?

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 has a molecular weight of 895.98 g/mol, XLogP of 14.46, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 146655395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).