4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine

C51H34N4O — CID 123394368

IUPAC4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)cc(-c2cccc(-c3cccc4c3oc3c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc34)c2)n1
InChIInChI=1S/C51H34N4O/c1-33-52-45(35-14-5-2-6-15-35)31-48(53-33)40-21-11-20-39(30-40)42-23-13-25-44-43-24-12-22-41(49(43)56-50(42)44)34-26-28-37(29-27-34)47-32-46(36-16-7-3-8-17-36)54-51(55-47)38-18-9-4-10-19-38/h2-32H,1H3
InChIKeyZZPUIUVJOWMSHY-UHFFFAOYSA-N
MW718.86 g/mol
LogP13.14
Rot. Bonds7

About 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine

4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine (PubChem CID 123394368) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine
PubChem CID123394368
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)cc(-c2cccc(-c3cccc4c3oc3c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc34)c2)n1
InChIInChI=1S/C51H34N4O/c1-33-52-45(35-14-5-2-6-15-35)31-48(53-33)40-21-11-20-39(30-40)42-23-13-25-44-43-24-12-22-41(49(43)56-50(42)44)34-26-28-37(29-27-34)47-32-46(36-16-7-3-8-17-36)54-51(55-47)38-18-9-4-10-19-38/h2-32H,1H3
InChIKeyZZPUIUVJOWMSHY-UHFFFAOYSA-N
XLogP13.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine
CID 164834780
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613908
2-[3-[18-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl]phenyl]-4,6-diphenylpyrimidine
CID 59147414
4-[3-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142294020
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
2-[3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613592
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine?
The IUPAC name of 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine (CID 123394368) is 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine.
What is the SMILES notation for 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine?
The canonical SMILES for 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine is Cc1nc(-c2ccccc2)cc(-c2cccc(-c3cccc4c3oc3c(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc34)c2)n1.
What is the InChIKey of 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine?
The InChIKey is ZZPUIUVJOWMSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-33-52-45(35-14-5-2-6-15-35)31-48(53-33)40-21-11-20-39(30-40)42-23-13-25-44-43-24-12-22-41(49(43)56-50(42)44)34-26-28-37(29-27-34)47-32-46(36-16-7-3-8-17-36)54-51(55-47)38-18-9-4-10-19-38/h2-32H,1H3.
What are the key properties of 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine?
4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine has a molecular weight of 718.86 g/mol, XLogP of 13.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine is sourced from PubChem (CID 123394368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).