2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine

C50H32N2O — CID 171583153

IUPAC2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc4oc5c6cc(-c7ccccc7)ccc6ccc5c34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-5-14-33(15-6-1)38-25-24-35-26-27-43-48-42(22-13-23-47(48)53-49(43)44(35)31-38)40-28-39(34-16-7-2-8-17-34)29-41(30-40)46-32-45(36-18-9-3-10-19-36)51-50(52-46)37-20-11-4-12-21-37/h1-32H
InChIKeyUIOQGCPFKZXZQH-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

About 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine

2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine (PubChem CID 171583153) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine
PubChem CID171583153
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc4oc5c6cc(-c7ccccc7)ccc6ccc5c34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-5-14-33(15-6-1)38-25-24-35-26-27-43-48-42(22-13-23-47(48)53-49(43)44(35)31-38)40-28-39(34-16-7-2-8-17-34)29-41(30-40)46-32-45(36-18-9-3-10-19-36)51-50(52-46)37-20-11-4-12-21-37/h1-32H
InChIKeyUIOQGCPFKZXZQH-UHFFFAOYSA-N
XLogP13.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine 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

2,4-diphenyl-6-[3-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]pyrimidine
CID 164834788
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835316
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
4,6-diphenyl-2-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835133
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
4-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-4-yl)-5-phenylphenyl]-2,6-diphenylpyrimidine
CID 171583909
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine (CID 171583153) is 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccc4oc5c6cc(-c7ccccc7)ccc6ccc5c34)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine?
The InChIKey is UIOQGCPFKZXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-5-14-33(15-6-1)38-25-24-35-26-27-43-48-42(22-13-23-47(48)53-49(43)44(35)31-38)40-28-39(34-16-7-2-8-17-34)29-41(30-40)46-32-45(36-18-9-3-10-19-36)51-50(52-46)37-20-11-4-12-21-37/h1-32H.
What are the key properties of 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine?
2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine has a molecular weight of 676.82 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-phenyl-5-(2-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine is sourced from PubChem (CID 171583153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).