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

C48H30N2O — CID 166975307

IUPAC2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccccc5)c5c4oc4cc6ccccc6cc45)c4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H30N2O/c1-4-14-31(15-5-1)36-24-27-41(47-46(36)42-28-34-20-10-11-21-35(34)29-45(42)51-47)39-25-26-40(38-23-13-12-22-37(38)39)44-30-43(32-16-6-2-7-17-32)49-48(50-44)33-18-8-3-9-19-33/h1-30H
InChIKeyZOCZUUWQYIMKHA-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

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

2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine (PubChem CID 166975307) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine
PubChem CID166975307
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccccc5)c5c4oc4cc6ccccc6cc45)c4ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H30N2O/c1-4-14-31(15-5-1)36-24-27-41(47-46(36)42-28-34-20-10-11-21-35(34)29-45(42)51-47)39-25-26-40(38-23-13-12-22-37(38)39)44-30-43(32-16-6-2-7-17-32)49-48(50-44)33-18-8-3-9-19-33/h1-30H
InChIKeyZOCZUUWQYIMKHA-UHFFFAOYSA-N
XLogP13.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]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-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine
CID 169294610
2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine
CID 166975065
2-[4-[1-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169294627
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
CID 167424212
2,4-bis(4-phenylphenyl)-6-[4-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 163672601
2-naphthalen-2-yl-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 174245007
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
CID 166867460
2-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 159720364
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
2-[4-(4-dibenzothiophen-4-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166974662
2,4-dinaphthalen-2-yl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 164991903

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine (CID 166975307) is 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccccc5)c5c4oc4cc6ccccc6cc45)c4ccccc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine?
The InChIKey is ZOCZUUWQYIMKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-4-14-31(15-5-1)36-24-27-41(47-46(36)42-28-34-20-10-11-21-35(34)29-45(42)51-47)39-25-26-40(38-23-13-12-22-37(38)39)44-30-43(32-16-6-2-7-17-32)49-48(50-44)33-18-8-3-9-19-33/h1-30H.
What are the key properties of 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine?
2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine has a molecular weight of 650.78 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine is sourced from PubChem (CID 166975307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).