4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C48H28N2O2 — CID 170092498

IUPAC4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6oc7ccccc7c6n5)c5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C48H28N2O2/c1-3-11-33-27-35(23-19-29(33)9-1)31-17-21-32(22-18-31)37-25-26-40(43-38-13-5-7-15-41(38)51-46(37)43)48-49-44(36-24-20-30-10-2-4-12-34(30)28-36)47-45(50-48)39-14-6-8-16-42(39)52-47/h1-28H
InChIKeyYVNDYRIKSYZKGR-UHFFFAOYSA-N
MW664.76 g/mol
LogP13.25
Rot. Bonds4

About 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170092498) has the molecular formula C48H28N2O2 and a molecular weight of 664.76 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170092498
Molecular FormulaC48H28N2O2
Molecular Weight664.76 g/mol
Exact Mass664.22
IUPAC Name4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc(-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6oc7ccccc7c6n5)c5c4oc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C48H28N2O2/c1-3-11-33-27-35(23-19-29(33)9-1)31-17-21-32(22-18-31)37-25-26-40(43-38-13-5-7-15-41(38)51-46(37)43)48-49-44(36-24-20-30-10-2-4-12-34(30)28-36)47-45(50-48)39-14-6-8-16-42(39)52-47/h1-28H
InChIKeyYVNDYRIKSYZKGR-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-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092511
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
4-naphthalen-2-yl-2-[4-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 170092022
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 174328262
2-[7-naphthalen-2-yl-3-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170092712
4-chrysen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177129928
4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 164829303
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 166741531
2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 170092498) is 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc2cc(-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6oc7ccccc7c6n5)c5c4oc4ccccc45)cc3)ccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is YVNDYRIKSYZKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2/c1-3-11-33-27-35(23-19-29(33)9-1)31-17-21-32(22-18-31)37-25-26-40(43-38-13-5-7-15-41(38)51-46(37)43)48-49-44(36-24-20-30-10-2-4-12-34(30)28-36)47-45(50-48)39-14-6-8-16-42(39)52-47/h1-28H.
What are the key properties of 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-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 4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170092498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).