4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine

C59H38N2O — CID 171583348

IUPAC4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4cc(-c5ccccc5)cc(-c5cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)nc(-c6ccccc6)n5)c4)c([2H])c32)c1[2H]
InChIInChI=1S/C59H38N2O/c1-5-18-39(19-6-1)42-34-43(41-32-33-56-50(37-41)47-26-14-16-31-55(47)62-56)36-44(35-42)53-38-54(61-58(60-53)40-20-7-2-8-21-40)49-28-17-30-52-57(49)48-27-13-15-29-51(48)59(52,45-22-9-3-10-23-45)46-24-11-4-12-25-46/h1-38H/i14D,16D,26D,31D,32D,33D,37D
InChIKeyPVZURCFLJGQUTR-GJKIMIQMSA-N
MW798.01 g/mol
LogP15.07
Rot. Bonds7

About 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine

4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine (PubChem CID 171583348) has the molecular formula C59H38N2O and a molecular weight of 798.01 g/mol. Its IUPAC name is 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
PubChem CID171583348
Molecular FormulaC59H38N2O
Molecular Weight798.01 g/mol
Exact Mass797.34
IUPAC Name4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
SMILES[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4cc(-c5ccccc5)cc(-c5cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)nc(-c6ccccc6)n5)c4)c([2H])c32)c1[2H]
InChIInChI=1S/C59H38N2O/c1-5-18-39(19-6-1)42-34-43(41-32-33-56-50(37-41)47-26-14-16-31-55(47)62-56)36-44(35-42)53-38-54(61-58(60-53)40-20-7-2-8-21-40)49-28-17-30-52-57(49)48-27-13-15-29-51(48)59(52,45-22-9-3-10-23-45)46-24-11-4-12-25-46/h1-38H/i14D,16D,26D,31D,32D,33D,37D
InChIKeyPVZURCFLJGQUTR-GJKIMIQMSA-N
XLogP15.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.01
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(9,9-diphenylfluoren-2-yl)-6-[4-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 171602172
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602100
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602396
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171584248
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171583334
4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602956
4-[4-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-4-yl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168777546
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171582961

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine (CID 171583348) is 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine is [2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c(-c4cc(-c5ccccc5)cc(-c5cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)nc(-c6ccccc6)n5)c4)c([2H])c32)c1[2H].
What is the InChIKey of 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine?
The InChIKey is PVZURCFLJGQUTR-GJKIMIQMSA-N. The full InChI is InChI=1S/C59H38N2O/c1-5-18-39(19-6-1)42-34-43(41-32-33-56-50(37-41)47-26-14-16-31-55(47)62-56)36-44(35-42)53-38-54(61-58(60-53)40-20-7-2-8-21-40)49-28-17-30-52-57(49)48-27-13-15-29-51(48)59(52,45-22-9-3-10-23-45)46-24-11-4-12-25-46/h1-38H/i14D,16D,26D,31D,32D,33D,37D.
What are the key properties of 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine?
4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine has a molecular weight of 798.01 g/mol, XLogP of 15.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diphenylfluoren-4-yl)-6-[3-(1,3,4,6,7,8,9-heptadeuteriodibenzofuran-2-yl)-5-phenylphenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171583348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).