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

C38H22N2O2 — CID 174328262

IUPAC4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)c4oc5ccccc5c4n3)cc3oc4ccccc4c23)cc1
InChIInChI=1S/C38H22N2O2/c1-2-11-24(12-3-1)30-21-27(22-33-34(30)28-14-6-8-16-31(28)41-33)38-39-35(26-19-18-23-10-4-5-13-25(23)20-26)37-36(40-38)29-15-7-9-17-32(29)42-37/h1-22H
InChIKeyURJWBJWKOMHYHT-UHFFFAOYSA-N
MW538.61 g/mol
LogP10.43
Rot. Bonds3

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

4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 174328262) has the molecular formula C38H22N2O2 and a molecular weight of 538.61 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID174328262
Molecular FormulaC38H22N2O2
Molecular Weight538.61 g/mol
Exact Mass538.17
IUPAC Name4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)c4oc5ccccc5c4n3)cc3oc4ccccc4c23)cc1
InChIInChI=1S/C38H22N2O2/c1-2-11-24(12-3-1)30-21-27(22-33-34(30)28-14-6-8-16-31(28)41-33)38-39-35(26-19-18-23-10-4-5-13-25(23)20-26)37-36(40-38)29-15-7-9-17-32(29)42-37/h1-22H
InChIKeyURJWBJWKOMHYHT-UHFFFAOYSA-N
XLogP10.43
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092511
2-[7-naphthalen-2-yl-3-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170092712
2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259678
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-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847
4,6-dinaphthalen-2-yl-2-(1-naphthalen-2-yldibenzofuran-3-yl)pyrimidine
CID 174328148
2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092567
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859
4-chrysen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177129928
2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 174328262) is 4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)c4oc5ccccc5c4n3)cc3oc4ccccc4c23)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is URJWBJWKOMHYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O2/c1-2-11-24(12-3-1)30-21-27(22-33-34(30)28-14-6-8-16-31(28)41-33)38-39-35(26-19-18-23-10-4-5-13-25(23)20-26)37-36(40-38)29-15-7-9-17-32(29)42-37/h1-22H.
What are the key properties of 4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine?
4-naphthalen-2-yl-2-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 538.61 g/mol, XLogP of 10.43, 3 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-(1-phenyldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 174328262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).