9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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

C59H31N9O — CID 146655387

About 9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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 146655387) has the molecular formula C59H31N9O and a molecular weight of 881.96 g/mol. Its IUPAC name is 9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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: 146655387
• Molecular Formula: C59H31N9O
• Molecular Weight: 881.96 g/mol
• Exact Mass: 881.27
• IUPAC Name: 9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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(c3ccccc3Oc3ccc(-n4c5ccccc5c5ccncc54)cc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2
• InChI: InChI=1S/C59H31N9O/c60-28-34-13-16-51-43(23-34)44-24-35(29-61)14-17-52(44)67(51)37-26-47-57(64-30-37)58-48(27-38(31-65-58)68-50-11-5-2-8-40(50)42-20-22-63-33-54(42)68)59(47)45-9-3-6-12-55(45)69-56-18-15-36(25-46(56)59)66-49-10-4-1-7-39(49)41-19-21-62-32-53(41)66/h1-27,30-33H
• InChIKey: FQUPZCGHFCAWPS-UHFFFAOYSA-N
• XLogP: 12.77
• TPSA: 123.16 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.96
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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 146655387) is 9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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(c3ccccc3Oc3ccc(-n4c5ccccc5c5ccncc54)cc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2.

What is the InChIKey of 9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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 FQUPZCGHFCAWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H31N9O/c60-28-34-13-16-51-43(23-34)44-24-35(29-61)14-17-52(44)67(51)37-26-47-57(64-30-37)58-48(27-38(31-65-58)68-50-11-5-2-8-40(50)42-20-22-63-33-54(42)68)59(47)45-9-3-6-12-55(45)69-56-18-15-36(25-46(56)59)66-49-10-4-1-7-39(49)41-19-21-62-32-53(41)66/h1-27,30-33H.

What are the key properties of 9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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 881.96 g/mol, XLogP of 12.77, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2',11-bis(pyrido[3,4-b]indol-9-yl)spiro[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 146655387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).