2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine

C42H24N4O2 — CID 118477908

IUPAC2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
SMILESc1ccc2cc(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)c(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)cc2c1
InChIInChI=1S/C42H24N4O2/c1-2-10-26-20-36(28-23-45-42(46-24-28)34-16-8-14-32-30-12-4-6-18-38(30)48-40(32)34)35(19-25(26)9-1)27-21-43-41(44-22-27)33-15-7-13-31-29-11-3-5-17-37(29)47-39(31)33/h1-24H
InChIKeySCMRXIHDNNDHJK-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.89
Rot. Bonds4

About 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine

2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine (PubChem CID 118477908) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
PubChem CID118477908
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
SMILESc1ccc2cc(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)c(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)cc2c1
InChIInChI=1S/C42H24N4O2/c1-2-10-26-20-36(28-23-45-42(46-24-28)34-16-8-14-32-30-12-4-6-18-38(30)48-40(32)34)35(19-25(26)9-1)27-21-43-41(44-22-27)33-15-7-13-31-29-11-3-5-17-37(29)47-39(31)33/h1-24H
InChIKeySCMRXIHDNNDHJK-UHFFFAOYSA-N
XLogP10.89
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
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
2,4-di(dibenzofuran-4-yl)-6-(4-phenanthren-9-yl-2-phenylphenyl)-1,3,5-triazine
CID 163801076
2-dibenzofuran-4-yl-4-(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 167181780
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2,4-di(dibenzofuran-4-yl)-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278664
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
9-(4-dibenzofuran-4-ylphenyl)-10-naphthalen-2-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163590841

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine (CID 118477908) is 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine is c1ccc2cc(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)c(-c3cnc(-c4cccc5c4oc4ccccc45)nc3)cc2c1.
What is the InChIKey of 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
The InChIKey is SCMRXIHDNNDHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-2-10-26-20-36(28-23-45-42(46-24-28)34-16-8-14-32-30-12-4-6-18-38(30)48-40(32)34)35(19-25(26)9-1)27-21-43-41(44-22-27)33-15-7-13-31-29-11-3-5-17-37(29)47-39(31)33/h1-24H.
What are the key properties of 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine?
2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine has a molecular weight of 616.68 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine is sourced from PubChem (CID 118477908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).