2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine

C39H26N2O — CID 129303723

IUPAC2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine
SMILESC1=C(c2cccc(-c3ccccc3)c2)c2oc3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2C1
InChIInChI=1S/C39H26N2O/c1-4-12-26(13-5-1)29-18-10-19-30(24-29)31-22-23-33-37-32(20-11-21-36(37)42-38(31)33)35-25-34(27-14-6-2-7-15-27)40-39(41-35)28-16-8-3-9-17-28/h1-22,24-25H,23H2
InChIKeyBEZLAXKSSFWRCK-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.88
Rot. Bonds5

About 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine

2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine (PubChem CID 129303723) has the molecular formula C39H26N2O and a molecular weight of 538.65 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine
PubChem CID129303723
Molecular FormulaC39H26N2O
Molecular Weight538.65 g/mol
Exact Mass538.20
IUPAC Name2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine
SMILESC1=C(c2cccc(-c3ccccc3)c2)c2oc3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2C1
InChIInChI=1S/C39H26N2O/c1-4-12-26(13-5-1)29-18-10-19-30(24-29)31-22-23-33-37-32(20-11-21-36(37)42-38(31)33)35-25-34(27-14-6-2-7-15-27)40-39(41-35)28-16-8-3-9-17-28/h1-22,24-25H,23H2
InChIKeyBEZLAXKSSFWRCK-UHFFFAOYSA-N
XLogP9.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 147571210
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
CID 158170938
2-[9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 147695392
2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
CID 159717872
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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine (CID 129303723) is 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine is C1=C(c2cccc(-c3ccccc3)c2)c2oc3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2C1.
What is the InChIKey of 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine?
The InChIKey is BEZLAXKSSFWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O/c1-4-12-26(13-5-1)29-18-10-19-30(24-29)31-22-23-33-37-32(20-11-21-36(37)42-38(31)33)35-25-34(27-14-6-2-7-15-27)40-39(41-35)28-16-8-3-9-17-28/h1-22,24-25H,23H2.
What are the key properties of 2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine?
2,4-diphenyl-6-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine has a molecular weight of 538.65 g/mol, XLogP of 9.88, 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-[3-(3-phenylphenyl)-1H-cyclopenta[b][1]benzofuran-8-yl]pyrimidine is sourced from PubChem (CID 129303723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).