4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine

C48H32N2O — CID 156553980

IUPAC4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3oc4cc5ccccc5cc4c3c2)N=C1c1ccccc1
InChIInChI=1S/C48H32N2O/c1-4-14-31(15-5-1)37-24-25-40(39-23-13-12-22-38(37)39)42-27-36(28-43-41-26-34-20-10-11-21-35(34)29-46(41)51-47(42)43)48-49-44(32-16-6-2-7-17-32)30-45(50-48)33-18-8-3-9-19-33/h1-30,48-49H
InChIKeyNTAASBCLVWFVCH-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.36
Rot. Bonds5

About 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine

4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine (PubChem CID 156553980) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine
PubChem CID156553980
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3oc4cc5ccccc5cc4c3c2)N=C1c1ccccc1
InChIInChI=1S/C48H32N2O/c1-4-14-31(15-5-1)37-24-25-40(39-23-13-12-22-38(37)39)42-27-36(28-43-41-26-34-20-10-11-21-35(34)29-46(41)51-47(42)43)48-49-44(32-16-6-2-7-17-32)30-45(50-48)33-18-8-3-9-19-33/h1-30,48-49H
InChIKeyNTAASBCLVWFVCH-UHFFFAOYSA-N
XLogP12.36
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-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

2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 167144229
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
CID 167424212
4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 148755581
6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156553975
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]dibenzofuran-4-yl]carbazole
CID 166961182
14-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-28-oxa-14-azaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21,23,25-tridecaene
CID 145384335
4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
CID 130374602
6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine
CID 156558256
3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline
CID 118585090
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[cyclohexane-1,11'-fluoreno[3,2-b][1]benzofuran]-8'-ylphenyl)-1,2-dihydropyrimidine
CID 154947456
4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
CID 174243578

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine?
The IUPAC name of 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine (CID 156553980) is 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine is C1=C(c2ccccc2)NC(c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3oc4cc5ccccc5cc4c3c2)N=C1c1ccccc1.
What is the InChIKey of 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine?
The InChIKey is NTAASBCLVWFVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-4-14-31(15-5-1)37-24-25-40(39-23-13-12-22-38(37)39)42-27-36(28-43-41-26-34-20-10-11-21-35(34)29-46(41)51-47(42)43)48-49-44(32-16-6-2-7-17-32)30-45(50-48)33-18-8-3-9-19-33/h1-30,48-49H.
What are the key properties of 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine?
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine has a molecular weight of 652.80 g/mol, XLogP of 12.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine is sourced from PubChem (CID 156553980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).