2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine

C43H33N3O — CID 140838316

IUPAC2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(C)cc(C)n4)cn3)cc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C43H33N3O/c1-26-20-27(2)22-32(21-26)33-10-5-6-11-34(33)35-18-16-30(40-19-17-31(25-44-40)43-45-28(3)23-29(4)46-43)24-39(35)38-14-9-13-37-36-12-7-8-15-41(36)47-42(37)38/h5-25H,1-4H3
InChIKeySDZBPDGBFCAQQT-UHFFFAOYSA-N
MW607.76 g/mol
LogP11.34
Rot. Bonds5

About 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine

2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine (PubChem CID 140838316) has the molecular formula C43H33N3O and a molecular weight of 607.76 g/mol. Its IUPAC name is 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
PubChem CID140838316
Molecular FormulaC43H33N3O
Molecular Weight607.76 g/mol
Exact Mass607.26
IUPAC Name2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(C)cc(C)n4)cn3)cc2-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C43H33N3O/c1-26-20-27(2)22-32(21-26)33-10-5-6-11-34(33)35-18-16-30(40-19-17-31(25-44-40)43-45-28(3)23-29(4)46-43)24-39(35)38-14-9-13-37-36-12-7-8-15-41(36)47-42(37)38/h5-25H,1-4H3
InChIKeySDZBPDGBFCAQQT-UHFFFAOYSA-N
XLogP11.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-tert-butylphenyl)-6-[6-[3-(3,5-dimethylphenyl)-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838472
2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
CID 153287816
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838695
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155079198
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402370
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155377270
16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene
CID 140920425

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine (CID 140838316) is 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine is Cc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(C)cc(C)n4)cn3)cc2-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine?
The InChIKey is SDZBPDGBFCAQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3O/c1-26-20-27(2)22-32(21-26)33-10-5-6-11-34(33)35-18-16-30(40-19-17-31(25-44-40)43-45-28(3)23-29(4)46-43)24-39(35)38-14-9-13-37-36-12-7-8-15-41(36)47-42(37)38/h5-25H,1-4H3.
What are the key properties of 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine?
2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine has a molecular weight of 607.76 g/mol, XLogP of 11.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 140838316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).