1',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]

C47H28N4O — CID 146655287

About 1',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]

1',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] (PubChem CID 146655287) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 1',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].

Molecular Properties

• Compound Name: 1',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]
• PubChem CID: 146655287
• Molecular Formula: C47H28N4O
• Molecular Weight: 664.77 g/mol
• Exact Mass: 664.23
• IUPAC Name: 1',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]
• SMILES: c1cc2c(c(-n3c4ccccc4c4ccccc43)c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3O2)c2cccnc2-c2ncccc21
• InChI: InChI=1S/C47H28N4O/c1-5-18-37-30(12-1)31-13-2-6-19-38(31)50(37)29-24-25-34-43(28-29)52-42-23-9-22-41(51-39-20-7-3-14-32(39)33-15-4-8-21-40(33)51)44(42)47(34)35-16-10-26-48-45(35)46-36(47)17-11-27-49-46/h1-28H
• InChIKey: DZUZCPGLVIJQDO-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.77
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1',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]?

The IUPAC name of 1',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] (CID 146655287) is 1',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].

What is the SMILES notation for 1',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]?

The canonical SMILES for 1',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] is c1cc2c(c(-n3c4ccccc4c4ccccc43)c1)C1(c3ccc(-n4c5ccccc5c5ccccc54)cc3O2)c2cccnc2-c2ncccc21.

What is the InChIKey of 1',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]?

The InChIKey is DZUZCPGLVIJQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-5-18-37-30(12-1)31-13-2-6-19-38(31)50(37)29-24-25-34-43(28-29)52-42-23-9-22-41(51-39-20-7-3-14-32(39)33-15-4-8-21-40(33)51)44(42)47(34)35-16-10-26-48-45(35)46-36(47)17-11-27-49-46/h1-28H.

What are the key properties of 1',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]?

1',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] has a molecular weight of 664.77 g/mol, XLogP of 11.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1',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] is sourced from PubChem (CID 146655287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).