4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine

C43H29N3O — CID 130450810

IUPAC4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESC1=c2c(oc3ccccc23)=C(c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)CC1
InChIInChI=1S/C43H29N3O/c1-2-9-31-24-33(22-19-28(31)8-1)29-17-20-30(21-18-29)43-45-39(34-11-5-10-32(25-34)35-12-7-23-44-27-35)26-40(46-43)38-15-6-14-37-36-13-3-4-16-41(36)47-42(37)38/h1-5,7-14,16-27H,6,15H2
InChIKeyCEVJTEOKBVTICY-UHFFFAOYSA-N
MW603.73 g/mol
LogP9.21
Rot. Bonds5

About 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine

4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130450810) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID130450810
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESC1=c2c(oc3ccccc23)=C(c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)CC1
InChIInChI=1S/C43H29N3O/c1-2-9-31-24-33(22-19-28(31)8-1)29-17-20-30(21-18-29)43-45-39(34-11-5-10-32(25-34)35-12-7-23-44-27-35)26-40(46-43)38-15-6-14-37-36-13-3-4-16-41(36)47-42(37)38/h1-5,7-14,16-27H,6,15H2
InChIKeyCEVJTEOKBVTICY-UHFFFAOYSA-N
XLogP9.21
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 130450810) is 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine is C1=c2c(oc3ccccc23)=C(c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)CC1.
What is the InChIKey of 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is CEVJTEOKBVTICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-2-9-31-24-33(22-19-28(31)8-1)29-17-20-30(21-18-29)43-45-39(34-11-5-10-32(25-34)35-12-7-23-44-27-35)26-40(46-43)38-15-6-14-37-36-13-3-4-16-41(36)47-42(37)38/h1-5,7-14,16-27H,6,15H2.
What are the key properties of 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 603.73 g/mol, XLogP of 9.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydrodibenzofuran-4-yl)-2-(4-naphthalen-2-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130450810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).