4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine

C58H38N2O3 — CID 130374561

IUPAC4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine
SMILESC1=C(c2cccc(-c3cccc4c3oc3ccccc34)c2)NC(c2ccccc2)=NC1c1cc(C2=CCCc3c2oc2ccccc32)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C58H38N2O3/c1-2-14-35(15-3-1)58-59-50(37-17-10-16-36(30-37)41-21-11-24-47-44-18-4-7-27-52(44)61-55(41)47)34-51(60-58)40-32-38(42-22-12-25-48-45-19-5-8-28-53(45)62-56(42)48)31-39(33-40)43-23-13-26-49-46-20-6-9-29-54(46)63-57(43)49/h1-12,14-25,27-34,51H,13,26H2,(H,59,60)
InChIKeyFZRKWXJFUGSEAA-UHFFFAOYSA-N
MW810.95 g/mol
LogP15.08
Rot. Bonds6

About 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine

4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine (PubChem CID 130374561) has the molecular formula C58H38N2O3 and a molecular weight of 810.95 g/mol. Its IUPAC name is 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine
PubChem CID130374561
Molecular FormulaC58H38N2O3
Molecular Weight810.95 g/mol
Exact Mass810.29
IUPAC Name4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine
SMILESC1=C(c2cccc(-c3cccc4c3oc3ccccc34)c2)NC(c2ccccc2)=NC1c1cc(C2=CCCc3c2oc2ccccc32)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C58H38N2O3/c1-2-14-35(15-3-1)58-59-50(37-17-10-16-36(30-37)41-21-11-24-47-44-18-4-7-27-52(44)61-55(41)47)34-51(60-58)40-32-38(42-22-12-25-48-45-19-5-8-28-53(45)62-56(42)48)31-39(33-40)43-23-13-26-49-46-20-6-9-29-54(46)63-57(43)49/h1-12,14-25,27-34,51H,13,26H2,(H,59,60)
InChIKeyFZRKWXJFUGSEAA-UHFFFAOYSA-N
XLogP15.08
TPSA63.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.95
LogP ≤ 515.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine 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

dibenzofuran;3-dibenzofuran-4-yl-6-(1,2-dihydrodibenzofuran-4-yl)-9-methylcarbazole
CID 145339989
6-dibenzofuran-3-yl-2-phenyl-4-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)dibenzofuran-4-yl]-1,4-dihydropyrimidine
CID 166902541
(4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 146489534
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[2-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]-7,8-dihydrodibenzofuran-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146246403
6-naphtho[1,2-b][1]benzofuran-10-yl-2-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]-1,4-dihydropyrimidine
CID 170131820
4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-2-(1,2-dihydrodibenzothiophen-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 146431221
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
3-dibenzofuran-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)cyclohexa-1,3-dien-1-yl]carbazole
CID 129238529
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine?
The IUPAC name of 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine (CID 130374561) is 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine is C1=C(c2cccc(-c3cccc4c3oc3ccccc34)c2)NC(c2ccccc2)=NC1c1cc(C2=CCCc3c2oc2ccccc32)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine?
The InChIKey is FZRKWXJFUGSEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O3/c1-2-14-35(15-3-1)58-59-50(37-17-10-16-36(30-37)41-21-11-24-47-44-18-4-7-27-52(44)61-55(41)47)34-51(60-58)40-32-38(42-22-12-25-48-45-19-5-8-28-53(45)62-56(42)48)31-39(33-40)43-23-13-26-49-46-20-6-9-29-54(46)63-57(43)49/h1-12,14-25,27-34,51H,13,26H2,(H,59,60).
What are the key properties of 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine?
4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine has a molecular weight of 810.95 g/mol, XLogP of 15.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 130374561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).