2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine

C42H26N4O2 — CID 137383751

IUPAC2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine
SMILESC1=NC(c2cccc3c2oc2ccccc23)NC=C1c1cccc2cc(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)ccc12
InChIInChI=1S/C42H26N4O2/c1-3-16-37-31(9-1)33-12-6-14-35(39(33)47-37)41-43-21-27(22-44-41)25-18-19-30-26(20-25)8-5-11-29(30)28-23-45-42(46-24-28)36-15-7-13-34-32-10-2-4-17-38(32)48-40(34)36/h1-24,42,45H
InChIKeyZBYLZWQRFCAHNN-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.48
Rot. Bonds4

About 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine

2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine (PubChem CID 137383751) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine
PubChem CID137383751
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine
SMILESC1=NC(c2cccc3c2oc2ccccc23)NC=C1c1cccc2cc(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)ccc12
InChIInChI=1S/C42H26N4O2/c1-3-16-37-31(9-1)33-12-6-14-35(39(33)47-37)41-43-21-27(22-44-41)25-18-19-30-26(20-25)8-5-11-29(30)28-23-45-42(46-24-28)36-15-7-13-34-32-10-2-4-17-38(32)48-40(34)36/h1-24,42,45H
InChIKeyZBYLZWQRFCAHNN-UHFFFAOYSA-N
XLogP10.48
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 510.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[7-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477888
2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
CID 118477908
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155763992
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155480745
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine (CID 137383751) is 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine is C1=NC(c2cccc3c2oc2ccccc23)NC=C1c1cccc2cc(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)ccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
The InChIKey is ZBYLZWQRFCAHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-3-16-37-31(9-1)33-12-6-14-35(39(33)47-37)41-43-21-27(22-44-41)25-18-19-30-26(20-25)8-5-11-29(30)28-23-45-42(46-24-28)36-15-7-13-34-32-10-2-4-17-38(32)48-40(34)36/h1-24,42,45H.
What are the key properties of 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine has a molecular weight of 618.70 g/mol, XLogP of 10.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-[5-(2-dibenzofuran-4-yl-1,2-dihydropyrimidin-5-yl)naphthalen-2-yl]pyrimidine is sourced from PubChem (CID 137383751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).