9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile

C78H45N7O — CID 146656107

About 9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile

9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile (PubChem CID 146656107) has the molecular formula C78H45N7O and a molecular weight of 1096.27 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile
• PubChem CID: 146656107
• Molecular Formula: C78H45N7O
• Molecular Weight: 1096.27 g/mol
• Exact Mass: 1095.37
• IUPAC Name: 9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C3(c5ccc(-n6c7ccccc7c7ccccc76)cc5O4)c4cccnc4-c4ncc(-n5c6ccccc6c6ccccc65)cc43)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C78H45N7O/c79-45-47-30-35-72-60(39-47)61-40-48(31-36-73(61)83(72)51-16-13-15-50(42-51)82-66-24-7-1-17-54(66)55-18-2-8-25-67(55)82)49-32-37-74-64(41-49)78(62-34-33-52(44-75(62)86-74)84-68-26-9-3-19-56(68)57-20-4-10-27-69(57)84)63-23-14-38-80-76(63)77-65(78)43-53(46-81-77)85-70-28-11-5-21-58(70)59-22-6-12-29-71(59)85/h1-44,46H
• InChIKey: NUMBEOVURVBULZ-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 78.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.27
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile (CID 146656107) is 9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile.

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

The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C3(c5ccc(-n6c7ccccc7c7ccccc76)cc5O4)c4cccnc4-c4ncc(-n5c6ccccc6c6ccccc65)cc43)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)c1.

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

The InChIKey is NUMBEOVURVBULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45N7O/c79-45-47-30-35-72-60(39-47)61-40-48(31-36-73(61)83(72)51-16-13-15-50(42-51)82-66-24-7-1-17-54(66)55-18-2-8-25-67(55)82)49-32-37-74-64(41-49)78(62-34-33-52(44-75(62)86-74)84-68-26-9-3-19-56(68)57-20-4-10-27-69(57)84)63-23-14-38-80-76(63)77-65(78)43-53(46-81-77)85-70-28-11-5-21-58(70)59-22-6-12-29-71(59)85/h1-44,46H.

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

9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile has a molecular weight of 1096.27 g/mol, XLogP of 18.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-carbazol-9-ylphenyl)-6-[5,6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-2'-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 146656107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).