2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine

C51H43N3O — CID 162495577

IUPAC2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine
SMILESCC(CCc1cc(-c2cccc(CCC(C)(c3ccccc3)c3ccccn3)n2)c2oc3c4ccccc4ccc3c2c1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C51H43N3O/c1-50(38-17-5-3-6-18-38,46-24-11-13-32-52-46)30-28-36-34-43-42-27-26-37-16-9-10-22-41(37)48(42)55-49(43)44(35-36)45-23-15-21-40(54-45)29-31-51(2,39-19-7-4-8-20-39)47-25-12-14-33-53-47/h3-27,32-35H,28-31H2,1-2H3
InChIKeyBEAUJLNKKTVSPJ-UHFFFAOYSA-N
MW713.93 g/mol
LogP12.47
Rot. Bonds11

About 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine

2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine (PubChem CID 162495577) has the molecular formula C51H43N3O and a molecular weight of 713.93 g/mol. Its IUPAC name is 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine.

Molecular Properties

Compound Name2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine
PubChem CID162495577
Molecular FormulaC51H43N3O
Molecular Weight713.93 g/mol
Exact Mass713.34
IUPAC Name2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine
SMILESCC(CCc1cc(-c2cccc(CCC(C)(c3ccccc3)c3ccccn3)n2)c2oc3c4ccccc4ccc3c2c1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C51H43N3O/c1-50(38-17-5-3-6-18-38,46-24-11-13-32-52-46)30-28-36-34-43-42-27-26-37-16-9-10-22-41(37)48(42)55-49(43)44(35-36)45-23-15-21-40(54-45)29-31-51(2,39-19-7-4-8-20-39)47-25-12-14-33-53-47/h3-27,32-35H,28-31H2,1-2H3
InChIKeyBEAUJLNKKTVSPJ-UHFFFAOYSA-N
XLogP12.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.93
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[3-(3-phenyl-3-pyridin-2-ylbutyl)phenyl]pyridine
CID 162495590
1-(4-phenylphenyl)-2-[8-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-6-yl]-1-pyridin-2-ylethanol
CID 171052708
1-(4-phenylphenyl)-2-[4-[6-(2-phenyl-2-pyridin-2-ylpropyl)-2-pyridinyl]dibenzofuran-2-yl]-1-pyridin-2-ylethanol
CID 171052701
2-(1-phenyl-2-pyridin-2-ylpropan-2-yl)-6-[3-(1-phenyl-2-pyridin-2-ylpropan-2-yl)phenyl]pyridine
CID 162495630
4-[2-(4-fluorophenyl)propan-2-yl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 162707580
2-[6-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707082
4-(2,2-dimethylpropyl)-2-[6-[1-[3-(4-phenylphenyl)phenyl]-1-pyridin-2-ylethyl]-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl]-6-(1-phenyl-1-pyridin-2-ylethyl)pyridine
CID 162495557
4-[2,6-dideuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 166172190
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
2-(6,8-diethyldibenzofuran-4-yl)pyridine
CID 176637470
2-methyl-6-(2-naphtho[1,2-b][1]benzofuran-10-yl-4-pyridinyl)quinoline
CID 176779185
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine?
The IUPAC name of 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine (CID 162495577) is 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine.
What is the SMILES notation for 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine?
The canonical SMILES for 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine is CC(CCc1cc(-c2cccc(CCC(C)(c3ccccc3)c3ccccn3)n2)c2oc3c4ccccc4ccc3c2c1)(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine?
The InChIKey is BEAUJLNKKTVSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N3O/c1-50(38-17-5-3-6-18-38,46-24-11-13-32-52-46)30-28-36-34-43-42-27-26-37-16-9-10-22-41(37)48(42)55-49(43)44(35-36)45-23-15-21-40(54-45)29-31-51(2,39-19-7-4-8-20-39)47-25-12-14-33-53-47/h3-27,32-35H,28-31H2,1-2H3.
What are the key properties of 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine?
2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine has a molecular weight of 713.93 g/mol, XLogP of 12.47, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-3-pyridin-2-ylbutyl)-6-[8-(3-phenyl-3-pyridin-2-ylbutyl)naphtho[1,2-b][1]benzofuran-10-yl]pyridine is sourced from PubChem (CID 162495577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).