2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine

C43H29N3O — CID 130451026

IUPAC2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C43H29N3O/c1-2-14-34-28(9-1)10-6-16-35(34)29-20-22-30(23-21-29)39-26-40(32-12-5-11-31(25-32)33-13-8-24-44-27-33)46-43(45-39)38-18-7-17-37-36-15-3-4-19-41(36)47-42(37)38/h1-16,18-27,37H,17H2
InChIKeyAQXVSPAPCWSLKU-UHFFFAOYSA-N
MW603.73 g/mol
LogP10.54
Rot. Bonds5

About 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine

2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130451026) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID130451026
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C43H29N3O/c1-2-14-34-28(9-1)10-6-16-35(34)29-20-22-30(23-21-29)39-26-40(32-12-5-11-31(25-32)33-13-8-24-44-27-33)46-43(45-39)38-18-7-17-37-36-15-3-4-19-41(36)47-42(37)38/h1-16,18-27,37H,17H2
InChIKeyAQXVSPAPCWSLKU-UHFFFAOYSA-N
XLogP10.54
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 9976219
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CID 10384316
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CID 16748086
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CID 44530442
CID 44530442
CID 90313416
CID 90313416
CID 90314378
CID 90314378
CID 11476255
CID 11476255
CID 122442381
CID 122442381
CID 167050184
CID 167050184
CID 60209409
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CID 172437457
CID 172437457

Frequently Asked Questions

What is the IUPAC name of 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 130451026) is 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine is C1=CC(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)=C2Oc3ccccc3C2C1.
What is the InChIKey of 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is AQXVSPAPCWSLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-2-14-34-28(9-1)10-6-16-35(34)29-20-22-30(23-21-29)39-26-40(32-12-5-11-31(25-32)33-13-8-24-44-27-33)46-43(45-39)38-18-7-17-37-36-15-3-4-19-41(36)47-42(37)38/h1-16,18-27,37H,17H2.
What are the key properties of 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 603.73 g/mol, XLogP of 10.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9b-dihydrodibenzofuran-4-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130451026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).