6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile

C61H33N7O — CID 146655322

About 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile

6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile (PubChem CID 146655322) has the molecular formula C61H33N7O and a molecular weight of 879.98 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile
• PubChem CID: 146655322
• Molecular Formula: C61H33N7O
• Molecular Weight: 879.98 g/mol
• Exact Mass: 879.27
• IUPAC Name: 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3O2)c2cccnc2-c2ncccc21
• InChI: InChI=1S/C61H33N7O/c62-34-36-17-22-54-44(29-36)43-11-3-6-16-53(43)67(54)39-20-25-57-49(32-39)61(47-12-7-27-64-59(47)60-48(61)13-8-28-65-60)50-33-40(21-26-58(50)69-57)68-55-23-18-37(35-63)30-45(55)46-31-38(19-24-56(46)68)66-51-14-4-1-9-41(51)42-10-2-5-15-52(42)66/h1-33H
• InChIKey: PRZMRHFBSLXVJO-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 97.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.98
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile?

The IUPAC name of 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile (CID 146655322) is 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile.

What is the SMILES notation for 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile?

The canonical SMILES for 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccc(C#N)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc3O2)c2cccnc2-c2ncccc21.

What is the InChIKey of 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile?

The InChIKey is PRZMRHFBSLXVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H33N7O/c62-34-36-17-22-54-44(29-36)43-11-3-6-16-53(43)67(54)39-20-25-57-49(32-39)61(47-12-7-27-64-59(47)60-48(61)13-8-28-65-60)50-33-40(21-26-58(50)69-57)68-55-23-18-37(35-63)30-45(55)46-31-38(19-24-56(46)68)66-51-14-4-1-9-41(51)42-10-2-5-15-52(42)66/h1-33H.

What are the key properties of 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile?

6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile has a molecular weight of 879.98 g/mol, XLogP of 13.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-carbazol-9-yl-9-[7'-(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]-2'-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 146655322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).