2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine

C48H30N2O — CID 169294610

IUPAC2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4c3oc3cc5ccccc5cc34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-34(13-4-1)43-30-44(35-14-5-2-6-15-35)50-48(49-43)41-26-25-40(46-42-28-37-17-9-10-18-38(37)29-45(42)51-47(41)46)33-22-19-32(20-23-33)39-24-21-31-11-7-8-16-36(31)27-39/h1-30H
InChIKeyCBJPVYWYBMINOJ-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine

2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine (PubChem CID 169294610) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine
PubChem CID169294610
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4c3oc3cc5ccccc5cc34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-34(13-4-1)43-30-44(35-14-5-2-6-15-35)50-48(49-43)41-26-25-40(46-42-28-37-17-9-10-18-38(37)29-45(42)51-47(41)46)33-22-19-32(20-23-33)39-24-21-31-11-7-8-16-36(31)27-39/h1-30H
InChIKeyCBJPVYWYBMINOJ-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-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
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780
2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171754779
2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine
CID 166975307
2-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
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-phenanthren-9-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171755430
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
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 166867385
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]pyrimidine
CID 166867321

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine (CID 169294610) is 2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)c4c3oc3cc5ccccc5cc34)n2)cc1.
What is the InChIKey of 2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine?
The InChIKey is CBJPVYWYBMINOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-12-34(13-4-1)43-30-44(35-14-5-2-6-15-35)50-48(49-43)41-26-25-40(46-42-28-37-17-9-10-18-38(37)29-45(42)51-47(41)46)33-22-19-32(20-23-33)39-24-21-31-11-7-8-16-36(31)27-39/h1-30H.
What are the key properties of 2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine?
2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine 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-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 169294610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).