2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline

C43H25N3O2 — CID 129133236

IUPAC2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline
SMILESc1cc(-c2ccc3ccccc3n2)cc(-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)c1
InChIInChI=1S/C43H25N3O2/c1-4-19-35-26(10-1)22-23-36(44-35)27-11-7-12-28(24-27)43-45-37(33-17-8-15-31-29-13-2-5-20-39(29)47-41(31)33)25-38(46-43)34-18-9-16-32-30-14-3-6-21-40(30)48-42(32)34/h1-25H
InChIKeyMTTCYDDNADSFDY-UHFFFAOYSA-N
MW615.69 g/mol
LogP11.49
Rot. Bonds4

About 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline

2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline (PubChem CID 129133236) has the molecular formula C43H25N3O2 and a molecular weight of 615.69 g/mol. Its IUPAC name is 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline
PubChem CID129133236
Molecular FormulaC43H25N3O2
Molecular Weight615.69 g/mol
Exact Mass615.19
IUPAC Name2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline
SMILESc1cc(-c2ccc3ccccc3n2)cc(-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)c1
InChIInChI=1S/C43H25N3O2/c1-4-19-35-26(10-1)22-23-36(44-35)27-11-7-12-28(24-27)43-45-37(33-17-8-15-31-29-13-2-5-20-39(29)47-41(31)33)25-38(46-43)34-18-9-16-32-30-14-3-6-21-40(30)48-42(32)34/h1-25H
InChIKeyMTTCYDDNADSFDY-UHFFFAOYSA-N
XLogP11.49
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.69
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741
4-dibenzofuran-4-yl-6-(2-naphthalen-1-ylphenyl)-2-triphenylen-2-ylpyrimidine
CID 167349645
5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline
CID 154949961
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
CID 169278746
4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349519
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline?
The IUPAC name of 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline (CID 129133236) is 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline.
What is the SMILES notation for 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline?
The canonical SMILES for 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline is c1cc(-c2ccc3ccccc3n2)cc(-c2nc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)n2)c1.
What is the InChIKey of 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline?
The InChIKey is MTTCYDDNADSFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O2/c1-4-19-35-26(10-1)22-23-36(44-35)27-11-7-12-28(24-27)43-45-37(33-17-8-15-31-29-13-2-5-20-39(29)47-41(31)33)25-38(46-43)34-18-9-16-32-30-14-3-6-21-40(30)48-42(32)34/h1-25H.
What are the key properties of 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline?
2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline has a molecular weight of 615.69 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline is sourced from PubChem (CID 129133236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).