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

C44H26N2O2 — CID 170092573

IUPAC2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)c45)ccc3c2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-11-27(12-4-1)29-21-22-31-26-32(24-23-30(31)25-29)33-16-9-18-36-39-35(17-10-20-38(39)48-42(33)36)41-43-40(34-15-7-8-19-37(34)47-43)45-44(46-41)28-13-5-2-6-14-28/h1-26H
InChIKeySVZFFZDWKHBILU-UHFFFAOYSA-N
MW614.70 g/mol
LogP12.10
Rot. Bonds4

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

2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170092573) has the molecular formula C44H26N2O2 and a molecular weight of 614.70 g/mol. Its IUPAC name is 2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170092573
Molecular FormulaC44H26N2O2
Molecular Weight614.70 g/mol
Exact Mass614.20
IUPAC Name2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc3cc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)c45)ccc3c2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-11-27(12-4-1)29-21-22-31-26-32(24-23-30(31)25-29)33-16-9-18-36-39-35(17-10-20-38(39)48-42(33)36)41-43-40(34-15-7-8-19-37(34)47-43)45-44(46-41)28-13-5-2-6-14-28/h1-26H
InChIKeySVZFFZDWKHBILU-UHFFFAOYSA-N
XLogP12.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.70
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092567
2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092620
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 153309581
2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489845
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
4-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146952352
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029
4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 164829303
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 170092573) is 2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc3cc(-c4cccc5c4oc4cccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)c45)ccc3c2)cc1.
What is the InChIKey of 2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is SVZFFZDWKHBILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2/c1-3-11-27(12-4-1)29-21-22-31-26-32(24-23-30(31)25-29)33-16-9-18-36-39-35(17-10-20-38(39)48-42(33)36)41-43-40(34-15-7-8-19-37(34)47-43)45-44(46-41)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 614.70 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170092573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).