5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]

C64H38N4O — CID 155159192

About 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]

5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] (PubChem CID 155159192) has the molecular formula C64H38N4O and a molecular weight of 879.03 g/mol. Its IUPAC name is 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole].

Molecular Properties

• Compound Name: 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
• PubChem CID: 155159192
• Molecular Formula: C64H38N4O
• Molecular Weight: 879.03 g/mol
• Exact Mass: 878.30
• IUPAC Name: 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C75c6ccccc6-c6ccccc65)c5c4oc4ccccc45)n3)cc2)cc1
• InChI: InChI=1S/C64H38N4O/c1-3-17-39(18-4-1)40-31-33-42(34-32-40)62-65-61(41-19-5-2-6-20-41)66-63(67-62)48-35-36-56(59-47-25-11-16-30-58(47)69-60(48)59)68-55-29-15-10-24-46(55)50-37-54-49(38-57(50)68)45-23-9-14-28-53(45)64(54)51-26-12-7-21-43(51)44-22-8-13-27-52(44)64/h1-38H
• InChIKey: KHWACAJOTLPNQY-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.03
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?

The IUPAC name of 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] (CID 155159192) is 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole].

What is the SMILES notation for 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?

The canonical SMILES for 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C75c6ccccc6-c6ccccc65)c5c4oc4ccccc45)n3)cc2)cc1.

What is the InChIKey of 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?

The InChIKey is KHWACAJOTLPNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4O/c1-3-17-39(18-4-1)40-31-33-42(34-32-40)62-65-61(41-19-5-2-6-20-41)66-63(67-62)48-35-36-56(59-47-25-11-16-30-58(47)69-60(48)59)68-55-29-15-10-24-46(55)50-37-54-49(38-57(50)68)45-23-9-14-28-53(45)64(54)51-26-12-7-21-43(51)44-22-8-13-27-52(44)64/h1-38H.

What are the key properties of 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?

5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] has a molecular weight of 879.03 g/mol, XLogP of 15.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 155159192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).