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

C66H38N6O — CID 146656162

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

9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile (PubChem CID 146656162) has the molecular formula C66H38N6O and a molecular weight of 931.07 g/mol. Its IUPAC name is 9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile
• PubChem CID: 146656162
• Molecular Formula: C66H38N6O
• Molecular Weight: 931.07 g/mol
• Exact Mass: 930.31
• IUPAC Name: 9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-n3c4ccccc4c4ccccc43)ccc1C21c2cccnc2-c2ncccc21
• InChI: InChI=1S/C66H38N6O/c67-39-40-25-31-58-48(35-40)46-15-3-5-19-54(46)70(58)43-28-30-51-63(38-43)73-62-37-42(26-29-50(62)66(51)52-17-11-33-68-64(52)65-53(66)18-12-34-69-65)41-27-32-59-49(36-41)47-16-4-8-22-57(47)72(59)61-24-10-9-23-60(61)71-55-20-6-1-13-44(55)45-14-2-7-21-56(45)71/h1-38H
• InChIKey: XVUOTTKUTQCYQS-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 73.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.07
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile (CID 146656162) is 9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile.

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

The canonical SMILES for 9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-n3c4ccccc4c4ccccc43)ccc1C21c2cccnc2-c2ncccc21.

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

The InChIKey is XVUOTTKUTQCYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N6O/c67-39-40-25-31-58-48(35-40)46-15-3-5-19-54(46)70(58)43-28-30-51-63(38-43)73-62-37-42(26-29-50(62)66(51)52-17-11-33-68-64(52)65-53(66)18-12-34-69-65)41-27-32-59-49(36-41)47-16-4-8-22-57(47)72(59)61-24-10-9-23-60(61)71-55-20-6-1-13-44(55)45-14-2-7-21-56(45)71/h1-38H.

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

9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile has a molecular weight of 931.07 g/mol, XLogP of 15.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 146656162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).