4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine

C48H30N2O — CID 169048858

IUPAC4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-34(13-4-1)44-30-45(50-48(49-44)35-14-5-2-6-15-35)38-25-26-40-43-29-42(39-17-9-10-18-41(39)47(43)51-46(40)28-38)33-22-19-32(20-23-33)37-24-21-31-11-7-8-16-36(31)27-37/h1-30H
InChIKeyFAOHWJRAMFZHKO-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine

4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine (PubChem CID 169048858) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine
PubChem CID169048858
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-34(13-4-1)44-30-45(50-48(49-44)35-14-5-2-6-15-35)38-25-26-40-43-29-42(39-17-9-10-18-41(39)47(43)51-46(40)28-38)33-22-19-32(20-23-33)37-24-21-31-11-7-8-16-36(31)27-37/h1-30H
InChIKeyFAOHWJRAMFZHKO-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-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 164834762
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]pyrimidine
CID 164835302
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162042107
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167143642
2,4-dinaphthalen-2-yl-6-[3-[3-(6-naphtho[1,2-b][1]benzofuran-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154614133
2,4-diphenyl-6-[3-[3-(5-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]phenyl]pyrimidine
CID 164835343
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
4-[9-(2,6-diphenylpyrimidin-4-yl)naphtho[1,2-b][1]benzofuran-5-yl]-N,N-diphenylaniline
CID 166974572
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
2-(4-naphthalen-2-ylphenyl)-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170213977
2,4-diphenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164834906

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine (CID 169048858) is 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)oc3c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)cc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine?
The InChIKey is FAOHWJRAMFZHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-12-34(13-4-1)44-30-45(50-48(49-44)35-14-5-2-6-15-35)38-25-26-40-43-29-42(39-17-9-10-18-41(39)47(43)51-46(40)28-38)33-22-19-32(20-23-33)37-24-21-31-11-7-8-16-36(31)27-37/h1-30H.
What are the key properties of 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine?
4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-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 4-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 169048858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).