2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine

C36H22N2O2 — CID 135177858

IUPAC2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc5ccc6c(ccc7ccoc76)c5o4)n3)cc2)cc1
InChIInChI=1S/C36H22N2O2/c1-3-7-23(8-4-1)24-11-13-26(14-12-24)32-22-31(25-9-5-2-6-10-25)37-36(38-32)33-21-28-16-18-29-30(35(28)40-33)17-15-27-19-20-39-34(27)29/h1-22H
InChIKeyZMSLITRFPQYKAX-UHFFFAOYSA-N
MW514.58 g/mol
LogP9.79
Rot. Bonds4

About 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine

2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 135177858) has the molecular formula C36H22N2O2 and a molecular weight of 514.58 g/mol. Its IUPAC name is 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID135177858
Molecular FormulaC36H22N2O2
Molecular Weight514.58 g/mol
Exact Mass514.17
IUPAC Name2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc5ccc6c(ccc7ccoc76)c5o4)n3)cc2)cc1
InChIInChI=1S/C36H22N2O2/c1-3-7-23(8-4-1)24-11-13-26(14-12-24)32-22-31(25-9-5-2-6-10-25)37-36(38-32)33-21-28-16-18-29-30(35(28)40-33)17-15-27-19-20-39-34(27)29/h1-22H
InChIKeyZMSLITRFPQYKAX-UHFFFAOYSA-N
XLogP9.79
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine
CID 164799736
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
5-phenylbenzo[g][1]benzofuran
CID 12588747
4-phenyl-6-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]pyrimidine
CID 167424178
2-(3-naphtho[1,2-b][1]benzofuran-9-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168730388
8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[7,6-b][1]benzofuran
CID 176742954
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229522
2-(19-pyridin-2-yl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaen-7-yl)pyridine
CID 58411500
4-[3-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142293803
4-[3-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142294020
benzo[g][1]benzofuran-5-amine
CID 141105046
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine (CID 135177858) is 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc5ccc6c(ccc7ccoc76)c5o4)n3)cc2)cc1.
What is the InChIKey of 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is ZMSLITRFPQYKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O2/c1-3-7-23(8-4-1)24-11-13-26(14-12-24)32-22-31(25-9-5-2-6-10-25)37-36(38-32)33-21-28-16-18-29-30(35(28)40-33)17-15-27-19-20-39-34(27)29/h1-22H.
What are the key properties of 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 514.58 g/mol, XLogP of 9.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 135177858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).