2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine

C52H30N2O2 — CID 163218425

IUPAC2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6oc7c(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cccc7c6c5)cc4c3n2)cc1
InChIInChI=1S/C52H30N2O2/c1-3-12-31(13-4-1)48-51-49(54-52(53-48)32-14-5-2-6-15-32)45-29-34(24-27-47(45)56-51)33-23-26-46-44(28-33)42-21-11-20-36(50(42)55-46)35-22-25-41-39-18-8-7-16-37(39)38-17-9-10-19-40(38)43(41)30-35/h1-30H
InChIKeySRAMSNYCJQLLGI-UHFFFAOYSA-N
MW714.82 g/mol
LogP14.40
Rot. Bonds4

About 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine

2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 163218425) has the molecular formula C52H30N2O2 and a molecular weight of 714.82 g/mol. Its IUPAC name is 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID163218425
Molecular FormulaC52H30N2O2
Molecular Weight714.82 g/mol
Exact Mass714.23
IUPAC Name2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6oc7c(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cccc7c6c5)cc4c3n2)cc1
InChIInChI=1S/C52H30N2O2/c1-3-12-31(13-4-1)48-51-49(54-52(53-48)32-14-5-2-6-15-32)45-29-34(24-27-47(45)56-51)33-23-26-46-44(28-33)42-21-11-20-36(50(42)55-46)35-22-25-41-39-18-8-7-16-37(39)38-17-9-10-19-40(38)43(41)30-35/h1-30H
InChIKeySRAMSNYCJQLLGI-UHFFFAOYSA-N
XLogP14.40
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.82
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-diphenyl-8-[3-(3-triphenylen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 170397386
4-phenyl-2-(4-phenylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397399
4-(3-phenylphenyl)-2-(4-phenylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397397
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155049988
2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978721
2,6-diphenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397354
2-phenyl-4-(3-phenylphenyl)-7-(8-triphenylen-2-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397718
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2,4-diphenyl-7-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397380
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 163218425) is 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6oc7c(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)cccc7c6c5)cc4c3n2)cc1.
What is the InChIKey of 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is SRAMSNYCJQLLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O2/c1-3-12-31(13-4-1)48-51-49(54-52(53-48)32-14-5-2-6-15-32)45-29-34(24-27-47(45)56-51)33-23-26-46-44(28-33)42-21-11-20-36(50(42)55-46)35-22-25-41-39-18-8-7-16-37(39)38-17-9-10-19-40(38)43(41)30-35/h1-30H.
What are the key properties of 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 714.82 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 163218425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).