2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine

C45H27NO — CID 142515561

IUPAC2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine
SMILESc1ccc(-c2cc(-c3cccc4oc5ccc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc5c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H27NO/c1-3-9-28(10-4-1)39-26-36(27-40(46-39)29-11-5-2-6-12-29)37-15-8-16-42-45(37)38-25-32(21-22-41(38)47-42)35-23-33-19-17-30-13-7-14-31-18-20-34(24-35)44(33)43(30)31/h1-27H
InChIKeyUNCUEURTMIQTKF-UHFFFAOYSA-N
MW597.72 g/mol
LogP12.55
Rot. Bonds4

About 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine

2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine (PubChem CID 142515561) has the molecular formula C45H27NO and a molecular weight of 597.72 g/mol. Its IUPAC name is 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine.

Molecular Properties

Compound Name2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine
PubChem CID142515561
Molecular FormulaC45H27NO
Molecular Weight597.72 g/mol
Exact Mass597.21
IUPAC Name2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine
SMILESc1ccc(-c2cc(-c3cccc4oc5ccc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc5c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H27NO/c1-3-9-28(10-4-1)39-26-36(27-40(46-39)29-11-5-2-6-12-29)37-15-8-16-42-45(37)38-25-32(21-22-41(38)47-42)35-23-33-19-17-30-13-7-14-31-18-20-34(24-35)44(33)43(30)31/h1-27H
InChIKeyUNCUEURTMIQTKF-UHFFFAOYSA-N
XLogP12.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyridine
CID 134198825
4-[8-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-phenanthren-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-phenanthren-3-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine
CID 157292655
1-phenyl-8-pyren-1-yldibenzofuran
CID 170658138
2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine
CID 146396782
4-[8-(4-cyclohexa-1,5-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[8-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]pyridine;4-[8-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-yl]-2,6-diphenylpyridine;4-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyridine
CID 162125811
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
4-(4-dibenzofuran-1-ylphenyl)-6-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-2-phenylpyrimidine
CID 167412953
2-naphthalen-2-yl-4-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166742173
2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138672004
4-(8-phenanthren-1-yldibenzofuran-1-yl)-2,6-diphenylpyrimidine
CID 142515691
2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167181759
2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016716

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine?
The IUPAC name of 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine (CID 142515561) is 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine.
What is the SMILES notation for 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine?
The canonical SMILES for 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine is c1ccc(-c2cc(-c3cccc4oc5ccc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc5c34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine?
The InChIKey is UNCUEURTMIQTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27NO/c1-3-9-28(10-4-1)39-26-36(27-40(46-39)29-11-5-2-6-12-29)37-15-8-16-42-45(37)38-25-32(21-22-41(38)47-42)35-23-33-19-17-30-13-7-14-31-18-20-34(24-35)44(33)43(30)31/h1-27H.
What are the key properties of 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine?
2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine has a molecular weight of 597.72 g/mol, XLogP of 12.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine is sourced from PubChem (CID 142515561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).