2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine

C44H30N2O — CID 167113736

IUPAC2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine
SMILESC1=C(c2ccccc2)c2ccccc2C2Oc3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3C12
InChIInChI=1S/C44H30N2O/c1-4-13-29(14-5-1)37-27-38-42-34(21-12-22-41(42)47-43(38)36-20-11-10-19-35(36)37)30-23-25-32(26-24-30)40-28-39(31-15-6-2-7-16-31)45-44(46-40)33-17-8-3-9-18-33/h1-28,38,43H
InChIKeyJDXFMNSMOKFDMP-UHFFFAOYSA-N
MW602.74 g/mol
LogP10.81
Rot. Bonds5

About 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine

2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine (PubChem CID 167113736) has the molecular formula C44H30N2O and a molecular weight of 602.74 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine
PubChem CID167113736
Molecular FormulaC44H30N2O
Molecular Weight602.74 g/mol
Exact Mass602.24
IUPAC Name2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine
SMILESC1=C(c2ccccc2)c2ccccc2C2Oc3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3C12
InChIInChI=1S/C44H30N2O/c1-4-13-29(14-5-1)37-27-38-42-34(21-12-22-41(42)47-43(38)36-20-11-10-19-35(36)37)30-23-25-32(26-24-30)40-28-39(31-15-6-2-7-16-31)45-44(46-40)33-17-8-3-9-18-33/h1-28,38,43H
InChIKeyJDXFMNSMOKFDMP-UHFFFAOYSA-N
XLogP10.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(9S)-9,10-dimethyl-9,10-dihydrophenanthren-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 71072513
2-phenyl-4-(2-phenylphenyl)-6-[4-[11-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]pyrimidine
CID 165151570
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198
4,6-diphenyl-2-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)pyrimidine
CID 166737824

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine (CID 167113736) is 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine is C1=C(c2ccccc2)c2ccccc2C2Oc3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3C12.
What is the InChIKey of 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine?
The InChIKey is JDXFMNSMOKFDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2O/c1-4-13-29(14-5-1)37-27-38-42-34(21-12-22-41(42)47-43(38)36-20-11-10-19-35(36)37)30-23-25-32(26-24-30)40-28-39(31-15-6-2-7-16-31)45-44(46-40)33-17-8-3-9-18-33/h1-28,38,43H.
What are the key properties of 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine?
2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine has a molecular weight of 602.74 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(5-phenyl-6a,11a-dihydronaphtho[1,2-b][1]benzofuran-7-yl)phenyl]pyrimidine is sourced from PubChem (CID 167113736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).