2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine

C129H77N9O6 — CID 158821536

IUPAC2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccc(-c7ccccc7)nn6)c6oc7ccccc7c6n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccccn6)c6oc7ccccc7c6n5)c4c3c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)nc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C46H28N2O2.C44H26N4O2.C39H23N3O2/c1-4-13-29(14-5-1)31-23-25-33(26-24-31)42-45-43(35-19-10-11-21-39(35)49-45)48-46(47-42)36-20-12-22-40-41(36)38-28-34(30-15-6-2-7-16-30)27-37(44(38)50-40)32-17-8-3-9-18-32;1-4-13-27(14-5-1)30-25-33(28-15-6-2-7-16-28)42-34(26-30)39-32(20-12-22-38(39)50-42)44-45-40-31-19-10-11-21-37(31)49-43(40)41(46-44)36-24-23-35(47-48-36)29-17-8-3-9-18-29;1-3-12-24(13-4-1)26-22-29(25-14-5-2-6-15-25)37-30(23-26)34-28(17-11-20-33(34)44-37)39-41-35-27-16-7-8-19-32(27)43-38(35)36(42-39)31-18-9-10-21-40-31/h1-28H;1-26H;1-23H
InChIKeyIVXYVPYVQZXDIT-UHFFFAOYSA-N
MW1849.09 g/mol
LogP34.35
Rot. Bonds14

About 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine

2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 158821536) has the molecular formula C129H77N9O6 and a molecular weight of 1849.09 g/mol. Its IUPAC name is 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID158821536
Molecular FormulaC129H77N9O6
Molecular Weight1849.09 g/mol
Exact Mass1847.60
IUPAC Name2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccc(-c7ccccc7)nn6)c6oc7ccccc7c6n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccccn6)c6oc7ccccc7c6n5)c4c3c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)nc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C46H28N2O2.C44H26N4O2.C39H23N3O2/c1-4-13-29(14-5-1)31-23-25-33(26-24-31)42-45-43(35-19-10-11-21-39(35)49-45)48-46(47-42)36-20-12-22-40-41(36)38-28-34(30-15-6-2-7-16-30)27-37(44(38)50-40)32-17-8-3-9-18-32;1-4-13-27(14-5-1)30-25-33(28-15-6-2-7-16-28)42-34(26-30)39-32(20-12-22-38(39)50-42)44-45-40-31-19-10-11-21-37(31)49-43(40)41(46-44)36-24-23-35(47-48-36)29-17-8-3-9-18-29;1-3-12-24(13-4-1)26-22-29(25-14-5-2-6-15-25)37-30(23-26)34-28(17-11-20-33(34)44-37)39-41-35-27-16-7-8-19-32(27)43-38(35)36(42-39)31-18-9-10-21-40-31/h1-28H;1-26H;1-23H
InChIKeyIVXYVPYVQZXDIT-UHFFFAOYSA-N
XLogP34.35
TPSA194.85 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.09
LogP ≤ 534.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine (CID 158821536) is 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccc(-c7ccccc7)nn6)c6oc7ccccc7c6n5)c4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccccn6)c6oc7ccccc7c6n5)c4c3c2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)nc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is IVXYVPYVQZXDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2.C44H26N4O2.C39H23N3O2/c1-4-13-29(14-5-1)31-23-25-33(26-24-31)42-45-43(35-19-10-11-21-39(35)49-45)48-46(47-42)36-20-12-22-40-41(36)38-28-34(30-15-6-2-7-16-30)27-37(44(38)50-40)32-17-8-3-9-18-32;1-4-13-27(14-5-1)30-25-33(28-15-6-2-7-16-28)42-34(26-30)39-32(20-12-22-38(39)50-42)44-45-40-31-19-10-11-21-37(31)49-43(40)41(46-44)36-24-23-35(47-48-36)29-17-8-3-9-18-29;1-3-12-24(13-4-1)26-22-29(25-14-5-2-6-15-25)37-30(23-26)34-28(17-11-20-33(34)44-37)39-41-35-27-16-7-8-19-32(27)43-38(35)36(42-39)31-18-9-10-21-40-31/h1-28H;1-26H;1-23H.
What are the key properties of 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine?
2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1849.09 g/mol, XLogP of 34.35, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-diphenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-(6-phenylpyridazin-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-(6,8-diphenyldibenzofuran-1-yl)-4-pyridin-2-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 158821536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).