5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

C60H40N2OS — CID 149034875

About 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (PubChem CID 149034875) has the molecular formula C60H40N2OS and a molecular weight of 837.06 g/mol. Its IUPAC name is 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].

Molecular Properties

• Compound Name: 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
• PubChem CID: 149034875
• Molecular Formula: C60H40N2OS
• Molecular Weight: 837.06 g/mol
• Exact Mass: 836.29
• IUPAC Name: 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
• SMILES: c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)-c3cc(-c4ccc6c(c4)c4ccccc4n6-c4ccc6sc7ccccc7c6c4)ccc3C53CCCCC3)ccc12
• InChI: InChI=1S/C60H40N2OS/c1-10-28-60(29-11-1)50-25-20-36(37-21-26-54-47(31-37)40-12-2-6-16-52(40)61(54)38-23-27-59-49(32-38)44-15-5-9-19-58(44)64-59)30-45(50)46-35-55-48(34-51(46)60)41-13-3-7-17-53(41)62(55)39-22-24-43-42-14-4-8-18-56(42)63-57(43)33-39/h2-9,12-27,30-35H,1,10-11,28-29H2
• InChIKey: QGKWVDWULIROEL-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 23.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.06
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?

The IUPAC name of 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (CID 149034875) is 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].

What is the SMILES notation for 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?

The canonical SMILES for 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is c1ccc2c(c1)oc1cc(-n3c4ccccc4c4cc5c(cc43)-c3cc(-c4ccc6c(c4)c4ccccc4n6-c4ccc6sc7ccccc7c6c4)ccc3C53CCCCC3)ccc12.

What is the InChIKey of 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?

The InChIKey is QGKWVDWULIROEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2OS/c1-10-28-60(29-11-1)50-25-20-36(37-21-26-54-47(31-37)40-12-2-6-16-52(40)61(54)38-23-27-59-49(32-38)44-15-5-9-19-58(44)64-59)30-45(50)46-35-55-48(34-51(46)60)41-13-3-7-17-53(41)62(55)39-22-24-43-42-14-4-8-18-56(42)63-57(43)33-39/h2-9,12-27,30-35H,1,10-11,28-29H2.

What are the key properties of 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?

5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] has a molecular weight of 837.06 g/mol, XLogP of 17.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 149034875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).