4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine

C57H36N2O — CID 171603684

IUPAC4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc(-c5cccc6ccccc56)n4)cccc32)cc1
InChIInChI=1S/C57H36N2O/c1-3-17-41(18-4-1)57(42-19-5-2-6-20-42)49-26-11-9-23-46(49)55-47(25-14-27-50(55)57)52-36-51(58-56(59-52)45-24-13-16-38-15-7-8-21-43(38)45)39-31-29-37(30-32-39)40-33-34-54-48(35-40)44-22-10-12-28-53(44)60-54/h1-36H
InChIKeyIVAUYIUZAXQPGO-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.56
Rot. Bonds6

About 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine

4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine (PubChem CID 171603684) has the molecular formula C57H36N2O and a molecular weight of 764.93 g/mol. Its IUPAC name is 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine
PubChem CID171603684
Molecular FormulaC57H36N2O
Molecular Weight764.93 g/mol
Exact Mass764.28
IUPAC Name4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc(-c5cccc6ccccc56)n4)cccc32)cc1
InChIInChI=1S/C57H36N2O/c1-3-17-41(18-4-1)57(42-19-5-2-6-20-42)49-26-11-9-23-46(49)55-47(25-14-27-50(55)57)52-36-51(58-56(59-52)45-24-13-16-38-15-7-8-21-43(38)45)39-31-29-37(30-32-39)40-33-34-54-48(35-40)44-22-10-12-28-53(44)60-54/h1-36H
InChIKeyIVAUYIUZAXQPGO-UHFFFAOYSA-N
XLogP14.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine 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-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
4-dibenzofuran-2-yl-2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779159
4-(3-dibenzofuran-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603030
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602396
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenanthren-9-ylpyrimidine
CID 171603274
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002661
4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603028
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine?
The IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine (CID 171603684) is 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc(-c5cccc6ccccc56)n4)cccc32)cc1.
What is the InChIKey of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine?
The InChIKey is IVAUYIUZAXQPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O/c1-3-17-41(18-4-1)57(42-19-5-2-6-20-42)49-26-11-9-23-46(49)55-47(25-14-27-50(55)57)52-36-51(58-56(59-52)45-24-13-16-38-15-7-8-21-43(38)45)39-31-29-37(30-32-39)40-33-34-54-48(35-40)44-22-10-12-28-53(44)60-54/h1-36H.
What are the key properties of 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine?
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine has a molecular weight of 764.93 g/mol, XLogP of 14.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 171603684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).