9-(11-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-3,6-dicarbonitrile

C49H26N6O — CID 146655314

About 9-(11-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-3,6-dicarbonitrile

9-(11-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-3,6-dicarbonitrile (PubChem CID 146655314) has the molecular formula C49H26N6O and a molecular weight of 714.79 g/mol. Its IUPAC name is 9-(11-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-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-(11-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-3,6-dicarbonitrile
• PubChem CID: 146655314
• Molecular Formula: C49H26N6O
• Molecular Weight: 714.79 g/mol
• Exact Mass: 714.22
• IUPAC Name: 9-(11-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-3,6-dicarbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
• InChI: InChI=1S/C49H26N6O/c50-25-29-17-19-43-35(21-29)36-22-30(26-51)18-20-44(36)55(43)32-24-40-48(53-28-32)47-39(49(40)37-11-3-7-15-45(37)56-46-16-8-4-12-38(46)49)23-31(27-52-47)54-41-13-5-1-9-33(41)34-10-2-6-14-42(34)54/h1-24,27-28H
• InChIKey: FLTGMEGMKYQZJU-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 92.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.79
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-(11-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-3,6-dicarbonitrile?

The IUPAC name of 9-(11-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-3,6-dicarbonitrile (CID 146655314) is 9-(11-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-3,6-dicarbonitrile.

What is the SMILES notation for 9-(11-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-3,6-dicarbonitrile?

The canonical SMILES for 9-(11-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-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2.

What is the InChIKey of 9-(11-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-3,6-dicarbonitrile?

The InChIKey is FLTGMEGMKYQZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H26N6O/c50-25-29-17-19-43-35(21-29)36-22-30(26-51)18-20-44(36)55(43)32-24-40-48(53-28-32)47-39(49(40)37-11-3-7-15-45(37)56-46-16-8-4-12-38(46)49)23-31(27-52-47)54-41-13-5-1-9-33(41)34-10-2-6-14-42(34)54/h1-24,27-28H.

What are the key properties of 9-(11-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-3,6-dicarbonitrile?

9-(11-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-3,6-dicarbonitrile has a molecular weight of 714.79 g/mol, XLogP of 10.88, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(11-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-3,6-dicarbonitrile is sourced from PubChem (CID 146655314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).