2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine

C48H28N2O2 — CID 170092511

IUPAC2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5cc(-c6ccc7ccccc7c6)cc6oc7ccccc7c56)nc5c4oc4ccccc45)ccc3c2)cc1
InChIInChI=1S/C48H28N2O2/c1-2-10-29(11-3-1)32-20-21-34-26-36(23-22-33(34)25-32)45-47-46(39-15-7-9-17-42(39)52-47)50-48(49-45)40-27-37(35-19-18-30-12-4-5-13-31(30)24-35)28-43-44(40)38-14-6-8-16-41(38)51-43/h1-28H
InChIKeyDPWVCSYSEAABCT-UHFFFAOYSA-N
MW664.76 g/mol
LogP13.25
Rot. Bonds4

About 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine

2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170092511) has the molecular formula C48H28N2O2 and a molecular weight of 664.76 g/mol. Its IUPAC name is 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170092511
Molecular FormulaC48H28N2O2
Molecular Weight664.76 g/mol
Exact Mass664.22
IUPAC Name2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5cc(-c6ccc7ccccc7c6)cc6oc7ccccc7c56)nc5c4oc4ccccc45)ccc3c2)cc1
InChIInChI=1S/C48H28N2O2/c1-2-10-29(11-3-1)32-20-21-34-26-36(23-22-33(34)25-32)45-47-46(39-15-7-9-17-42(39)52-47)50-48(49-45)40-27-37(35-19-18-30-12-4-5-13-31(30)24-35)28-43-44(40)38-14-6-8-16-41(38)51-43/h1-28H
InChIKeyDPWVCSYSEAABCT-UHFFFAOYSA-N
XLogP13.25
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.76
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-naphthalen-2-yl-3-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170092712
4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 174328262
4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092498
2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163627856
4-chrysen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177129928
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
CID 167402692
2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092567
N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline
CID 167143510
2-dibenzofuran-3-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742821
2-(3-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742618
2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 158583534

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 170092511) is 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc3cc(-c4nc(-c5cc(-c6ccc7ccccc7c6)cc6oc7ccccc7c56)nc5c4oc4ccccc45)ccc3c2)cc1.
What is the InChIKey of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is DPWVCSYSEAABCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2/c1-2-10-29(11-3-1)32-20-21-34-26-36(23-22-33(34)25-32)45-47-46(39-15-7-9-17-42(39)52-47)50-48(49-45)40-27-37(35-19-18-30-12-4-5-13-31(30)24-35)28-43-44(40)38-14-6-8-16-41(38)51-43/h1-28H.
What are the key properties of 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 664.76 g/mol, XLogP of 13.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170092511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).