7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane

C60H40N4OS — CID 142571781

About 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane

7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane (PubChem CID 142571781) has the molecular formula C60H40N4OS and a molecular weight of 865.07 g/mol. Its IUPAC name is 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane.

Molecular Properties

• Compound Name: 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane
• PubChem CID: 142571781
• Molecular Formula: C60H40N4OS
• Molecular Weight: 865.07 g/mol
• Exact Mass: 864.29
• IUPAC Name: 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane
• SMILES: CCC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7c(c6)sc6ccc8ccccc8c67)c54)n3)ccc2c1
• InChI: InChI=1S/C57H32N4OS.C3H8/c1-2-13-36-30-38(21-20-33(36)10-1)55-58-56(39-23-26-44-43-16-7-8-19-48(43)62-49(44)31-39)60-57(59-55)61-47-28-24-34-11-3-5-14-40(34)52(47)46-18-9-17-42(54(46)61)37-22-27-45-51(32-37)63-50-29-25-35-12-4-6-15-41(35)53(45)50;1-3-2/h1-32H;3H2,1-2H3
• InChIKey: QZLALZMDMCVTTL-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.07
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane?

The IUPAC name of 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane (CID 142571781) is 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane.

What is the SMILES notation for 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane?

The canonical SMILES for 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane is CCC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7c(c6)sc6ccc8ccccc8c67)c54)n3)ccc2c1.

What is the InChIKey of 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane?

The InChIKey is QZLALZMDMCVTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4OS.C3H8/c1-2-13-36-30-38(21-20-33(36)10-1)55-58-56(39-23-26-44-43-16-7-8-19-48(43)62-49(44)31-39)60-57(59-55)61-47-28-24-34-11-3-5-14-40(34)52(47)46-18-9-17-42(54(46)61)37-22-27-45-51(32-37)63-50-29-25-35-12-4-6-15-41(35)53(45)50;1-3-2/h1-32H;3H2,1-2H3.

What are the key properties of 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane?

7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane has a molecular weight of 865.07 g/mol, XLogP of 17.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane is sourced from PubChem (CID 142571781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).