9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile

C59H33N7O — CID 146656013

About 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile

9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile (PubChem CID 146656013) has the molecular formula C59H33N7O and a molecular weight of 855.96 g/mol. Its IUPAC name is 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile
• PubChem CID: 146656013
• Molecular Formula: C59H33N7O
• Molecular Weight: 855.96 g/mol
• Exact Mass: 855.27
• IUPAC Name: 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccncc1n2-c1ccc2c(c1)Oc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C59H33N7O/c60-32-35-19-23-52-43(28-35)41-12-3-7-17-51(41)64(52)36-21-24-53-44(29-36)42-25-27-61-34-54(42)65(53)37-20-22-46-56(31-37)67-55-18-8-4-13-45(55)59(46)47-14-9-26-62-57(47)58-48(59)30-38(33-63-58)66-49-15-5-1-10-39(49)40-11-2-6-16-50(40)66/h1-31,33-34H
• InChIKey: WVLRZQRCVJDCSR-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 86.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.96
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile?

The IUPAC name of 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile (CID 146656013) is 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccncc1n2-c1ccc2c(c1)Oc1ccccc1C21c2cccnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.

What is the InChIKey of 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile?

The InChIKey is WVLRZQRCVJDCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H33N7O/c60-32-35-19-23-52-43(28-35)41-12-3-7-17-51(41)64(52)36-21-24-53-44(29-36)42-25-27-61-34-54(42)65(53)37-20-22-46-56(31-37)67-55-18-8-4-13-45(55)59(46)47-14-9-26-62-57(47)58-48(59)30-38(33-63-58)66-49-15-5-1-10-39(49)40-11-2-6-16-50(40)66/h1-31,33-34H.

What are the key properties of 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile?

9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile has a molecular weight of 855.96 g/mol, XLogP of 13.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-(5-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl)pyrido[3,4-b]indol-6-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 146656013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).