2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine

C48H30N2O — CID 167402049

IUPAC2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5cccc6c5oc5cc(-c7ccccc7)c7ccccc7c56)nc(-c5ccccc5)n4)ccc3c2)cc1
InChIInChI=1S/C48H30N2O/c1-4-13-31(14-5-1)34-23-24-36-28-37(26-25-35(36)27-34)43-30-44(50-48(49-43)33-17-8-3-9-18-33)40-21-12-22-41-46-39-20-11-10-19-38(39)42(29-45(46)51-47(40)41)32-15-6-2-7-16-32/h1-30H
InChIKeyWETNSIAQUUUEOE-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine

2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine (PubChem CID 167402049) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine
PubChem CID167402049
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4cc(-c5cccc6c5oc5cc(-c7ccccc7)c7ccccc7c56)nc(-c5ccccc5)n4)ccc3c2)cc1
InChIInChI=1S/C48H30N2O/c1-4-13-31(14-5-1)34-23-24-36-28-37(26-25-35(36)27-34)43-30-44(50-48(49-43)33-17-8-3-9-18-33)40-21-12-22-41-46-39-20-11-10-19-38(39)42(29-45(46)51-47(40)41)32-15-6-2-7-16-32/h1-30H
InChIKeyWETNSIAQUUUEOE-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

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Related Compounds

2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine
CID 167403219
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(8-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167403127
2,4-diphenyl-6-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 159237047
4-naphthalen-2-yl-2-phenyl-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidine
CID 167143910
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
4-dibenzofuran-4-yl-6-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-2-(4-phenylphenyl)pyrimidine
CID 167410737
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029
4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818034

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine?
The IUPAC name of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine (CID 167402049) is 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine is c1ccc(-c2ccc3cc(-c4cc(-c5cccc6c5oc5cc(-c7ccccc7)c7ccccc7c56)nc(-c5ccccc5)n4)ccc3c2)cc1.
What is the InChIKey of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine?
The InChIKey is WETNSIAQUUUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-4-13-31(14-5-1)34-23-24-36-28-37(26-25-35(36)27-34)43-30-44(50-48(49-43)33-17-8-3-9-18-33)40-21-12-22-41-46-39-20-11-10-19-38(39)42(29-45(46)51-47(40)41)32-15-6-2-7-16-32/h1-30H.
What are the key properties of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine?
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-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-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrimidine is sourced from PubChem (CID 167402049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).