8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile

C61H32N8O — CID 146655386

About 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile

8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile (PubChem CID 146655386) has the molecular formula C61H32N8O and a molecular weight of 892.98 g/mol. Its IUPAC name is 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile.

Molecular Properties

• Compound Name: 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile
• PubChem CID: 146655386
• Molecular Formula: C61H32N8O
• Molecular Weight: 892.98 g/mol
• Exact Mass: 892.27
• IUPAC Name: 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(-n4c5ccc(C#N)cc5c5cc6c(cc54)C6)cc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2
• InChI: InChI=1S/C61H32N8O/c62-29-34-13-16-53-44(21-34)42-8-2-5-11-52(42)68(53)39-27-49-59(65-31-39)60-50(28-40(32-66-60)69-51-10-4-1-7-41(51)43-19-20-64-33-56(43)69)61(49)47-9-3-6-12-57(47)70-58-18-15-38(26-48(58)61)67-54-17-14-35(30-63)22-45(54)46-24-36-23-37(36)25-55(46)67/h1-22,24-28,31-33H,23H2
• InChIKey: JHKGJDTWSGQXSS-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 110.27 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.98
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile?

The IUPAC name of 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile (CID 146655386) is 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile.

What is the SMILES notation for 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile?

The canonical SMILES for 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cnc2c(c1)C1(c3ccccc3Oc3ccc(-n4c5ccc(C#N)cc5c5cc6c(cc54)C6)cc31)c1cc(-n3c4ccccc4c4ccncc43)cnc1-2.

What is the InChIKey of 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile?

The InChIKey is JHKGJDTWSGQXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H32N8O/c62-29-34-13-16-53-44(21-34)42-8-2-5-11-52(42)68(53)39-27-49-59(65-31-39)60-50(28-40(32-66-60)69-51-10-4-1-7-41(51)43-19-20-64-33-56(43)69)61(49)47-9-3-6-12-57(47)70-58-18-15-38(26-48(58)61)67-54-17-14-35(30-63)22-45(54)46-24-36-23-37(36)25-55(46)67/h1-22,24-28,31-33H,23H2.

What are the key properties of 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile?

8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile has a molecular weight of 892.98 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(3-cyanocarbazol-9-yl)-11-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]-2'-yl]-8-azatetracyclo[7.5.0.02,7.011,13]tetradeca-1(9),2(7),3,5,10,13-hexaene-4-carbonitrile is sourced from PubChem (CID 146655386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).