2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine

C120H78N6O3 — CID 159915324

IUPAC2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3)n2)cc1
InChIInChI=1S/3C40H26N2O/c1-3-12-27(13-4-1)36-26-37(28-14-5-2-6-15-28)42-40(41-36)32-19-10-17-30(25-32)29-16-9-18-31(24-29)33-21-11-22-35-34-20-7-8-23-38(34)43-39(33)35;1-3-11-28(12-4-1)36-26-37(29-13-5-2-6-14-29)42-40(41-36)30-23-21-27(22-24-30)31-15-9-16-32(25-31)33-18-10-19-35-34-17-7-8-20-38(34)43-39(33)35;1-3-11-28(12-4-1)35-26-36(29-13-5-2-6-14-29)42-40(41-35)30-23-21-27(22-24-30)31-15-9-16-32(25-31)33-18-10-20-38-39(33)34-17-7-8-19-37(34)43-38/h3*1-26H
InChIKeyNXSALARKIYBWQO-UHFFFAOYSA-N
MW1651.98 g/mol
LogP32.13
Rot. Bonds15

About 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine

2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 159915324) has the molecular formula C120H78N6O3 and a molecular weight of 1651.98 g/mol. Its IUPAC name is 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
PubChem CID159915324
Molecular FormulaC120H78N6O3
Molecular Weight1651.98 g/mol
Exact Mass1650.61
IUPAC Name2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3)n2)cc1
InChIInChI=1S/3C40H26N2O/c1-3-12-27(13-4-1)36-26-37(28-14-5-2-6-15-28)42-40(41-36)32-19-10-17-30(25-32)29-16-9-18-31(24-29)33-21-11-22-35-34-20-7-8-23-38(34)43-39(33)35;1-3-11-28(12-4-1)36-26-37(29-13-5-2-6-14-29)42-40(41-36)30-23-21-27(22-24-30)31-15-9-16-32(25-31)33-18-10-19-35-34-17-7-8-20-38(34)43-39(33)35;1-3-11-28(12-4-1)35-26-36(29-13-5-2-6-14-29)42-40(41-35)30-23-21-27(22-24-30)31-15-9-16-32(25-31)33-18-10-20-38-39(33)34-17-7-8-19-37(34)43-38/h3*1-26H
InChIKeyNXSALARKIYBWQO-UHFFFAOYSA-N
XLogP32.13
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001651.98
LogP ≤ 532.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine with MolForge

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Related Compounds

4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867
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
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835257
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine (CID 159915324) is 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3)n2)cc1.
What is the InChIKey of 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is NXSALARKIYBWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H26N2O/c1-3-12-27(13-4-1)36-26-37(28-14-5-2-6-15-28)42-40(41-36)32-19-10-17-30(25-32)29-16-9-18-31(24-29)33-21-11-22-35-34-20-7-8-23-38(34)43-39(33)35;1-3-11-28(12-4-1)36-26-37(29-13-5-2-6-14-29)42-40(41-36)30-23-21-27(22-24-30)31-15-9-16-32(25-31)33-18-10-19-35-34-17-7-8-20-38(34)43-39(33)35;1-3-11-28(12-4-1)35-26-36(29-13-5-2-6-14-29)42-40(41-35)30-23-21-27(22-24-30)31-15-9-16-32(25-31)33-18-10-20-38-39(33)34-17-7-8-19-37(34)43-38/h3*1-26H.
What are the key properties of 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine?
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 1651.98 g/mol, XLogP of 32.13, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 159915324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).