12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C63H37N3O — CID 134594864

About 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 134594864) has the molecular formula C63H37N3O and a molecular weight of 852.01 g/mol. Its IUPAC name is 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

• Compound Name: 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
• PubChem CID: 134594864
• Molecular Formula: C63H37N3O
• Molecular Weight: 852.01 g/mol
• Exact Mass: 851.29
• IUPAC Name: 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
• SMILES: c1ccc(-c2nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccc8c(c6n7-c6ccccc6)-c6ccccc6C86c7ccccc7-c7ccccc76)cc5c34)nc3ccccc23)cc1
• InChI: InChI=1S/C63H37N3O/c1-3-16-38(17-4-1)60-46-23-10-14-28-54(46)64-62(65-60)47-24-15-29-57-58(47)49-37-40(31-35-56(49)67-57)39-30-34-55-48(36-39)44-32-33-53-59(61(44)66(55)41-18-5-2-6-19-41)45-22-9-13-27-52(45)63(53)50-25-11-7-20-42(50)43-21-8-12-26-51(43)63/h1-37H
• InChIKey: LBDAMBGFSVZYIM-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.01
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The IUPAC name of 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 134594864) is 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

What is the SMILES notation for 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The canonical SMILES for 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is c1ccc(-c2nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccc8c(c6n7-c6ccccc6)-c6ccccc6C86c7ccccc7-c7ccccc76)cc5c34)nc3ccccc23)cc1.

What is the InChIKey of 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

The InChIKey is LBDAMBGFSVZYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N3O/c1-3-16-38(17-4-1)60-46-23-10-14-28-54(46)64-62(65-60)47-24-15-29-57-58(47)49-37-40(31-35-56(49)67-57)39-30-34-55-48(36-39)44-32-33-53-59(61(44)66(55)41-18-5-2-6-19-41)45-22-9-13-27-52(45)63(53)50-25-11-7-20-42(50)43-21-8-12-26-51(43)63/h1-37H.

What are the key properties of 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?

12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 852.01 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12'-phenyl-3'-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 134594864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).