9-(4'-pyrido[3,4-b]indol-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

C48H25N7O — CID 146655383

About 9-(4'-pyrido[3,4-b]indol-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-(4'-pyrido[3,4-b]indol-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 146655383) has the molecular formula C48H25N7O and a molecular weight of 715.78 g/mol. Its IUPAC name is 9-(4'-pyrido[3,4-b]indol-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-(4'-pyrido[3,4-b]indol-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: 146655383
• Molecular Formula: C48H25N7O
• Molecular Weight: 715.78 g/mol
• Exact Mass: 715.21
• IUPAC Name: 9-(4'-pyrido[3,4-b]indol-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(c3ccccc3Oc3c(-n4c5ccccc5c5ccncc54)cccc31)c1cccnc1-2
• InChI: InChI=1S/C48H25N7O/c49-24-28-14-16-40-33(21-28)34-22-29(25-50)15-17-41(34)54(40)30-23-38-46(53-26-30)45-36(10-6-19-52-45)48(38)35-8-2-4-13-44(35)56-47-37(48)9-5-12-42(47)55-39-11-3-1-7-31(39)32-18-20-51-27-43(32)55/h1-23,26-27H
• InChIKey: KHEWWHRGLZQMMK-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 105.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.78
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-(4'-pyrido[3,4-b]indol-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-(4'-pyrido[3,4-b]indol-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 146655383) is 9-(4'-pyrido[3,4-b]indol-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-(4'-pyrido[3,4-b]indol-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-(4'-pyrido[3,4-b]indol-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(c3ccccc3Oc3c(-n4c5ccccc5c5ccncc54)cccc31)c1cccnc1-2.

What is the InChIKey of 9-(4'-pyrido[3,4-b]indol-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 KHEWWHRGLZQMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H25N7O/c49-24-28-14-16-40-33(21-28)34-22-29(25-50)15-17-41(34)54(40)30-23-38-46(53-26-30)45-36(10-6-19-52-45)48(38)35-8-2-4-13-44(35)56-47-37(48)9-5-12-42(47)55-39-11-3-1-7-31(39)32-18-20-51-27-43(32)55/h1-23,26-27H.

What are the key properties of 9-(4'-pyrido[3,4-b]indol-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-(4'-pyrido[3,4-b]indol-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 715.78 g/mol, XLogP of 10.28, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4'-pyrido[3,4-b]indol-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 146655383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).