2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole

C60H39N5O — CID 167250550

About 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole

2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole (PubChem CID 167250550) has the molecular formula C60H39N5O and a molecular weight of 846.01 g/mol. Its IUPAC name is 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole
• PubChem CID: 167250550
• Molecular Formula: C60H39N5O
• Molecular Weight: 846.01 g/mol
• Exact Mass: 845.32
• IUPAC Name: 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole
• SMILES: C1=Cc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)n4)c3c2C/C1=C\c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C60H39N5O/c1-5-19-40(20-6-1)57-62-58(45-28-17-31-49-55(45)44-27-13-14-30-48(44)60(49,41-21-7-2-8-22-41)42-23-9-3-10-24-42)64-59(63-57)46-29-18-34-53-56(46)47-37-39(35-36-52(47)66-53)38-54-61-50-32-15-16-33-51(50)65(54)43-25-11-4-12-26-43/h1-36,38H,37H2/b39-38-
• InChIKey: NUHALJOUKHKGHN-OKULSNQLSA-N
• XLogP: 13.97
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.01
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole?

The IUPAC name of 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole (CID 167250550) is 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole is C1=Cc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)n4)c3c2C/C1=C\c1nc2ccccc2n1-c1ccccc1.

What is the InChIKey of 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole?

The InChIKey is NUHALJOUKHKGHN-OKULSNQLSA-N. The full InChI is InChI=1S/C60H39N5O/c1-5-19-40(20-6-1)57-62-58(45-28-17-31-49-55(45)44-27-13-14-30-48(44)60(49,41-21-7-2-8-22-41)42-23-9-3-10-24-42)64-59(63-57)46-29-18-34-53-56(46)47-37-39(35-36-52(47)66-53)38-54-61-50-32-15-16-33-51(50)65(54)43-25-11-4-12-26-43/h1-36,38H,37H2/b39-38-.

What are the key properties of 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole?

2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole has a molecular weight of 846.01 g/mol, XLogP of 13.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1H-dibenzofuran-2-ylidene]methyl]-1-phenylbenzimidazole is sourced from PubChem (CID 167250550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).