1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine

C61H45N3O — CID 176729025

IUPAC1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2ccc3c(c2)oc2c(-c4ccc(-c5ccccc5-c5cc(CCc6ccc(-c7ccccn7)cc6)cc(CCc6ccc(-c7ccccn7)cc6)c5)cc4)nccc23)cc1
InChIInChI=1S/C61H45N3O/c1-2-10-46(11-3-1)51-32-33-55-56-34-37-64-60(61(56)65-59(55)41-51)50-30-28-47(29-31-50)53-12-4-5-13-54(53)52-39-44(18-16-42-20-24-48(25-21-42)57-14-6-8-35-62-57)38-45(40-52)19-17-43-22-26-49(27-23-43)58-15-7-9-36-63-58/h1-15,20-41H,16-19H2
InChIKeyAJELZJVZUVOMSX-UHFFFAOYSA-N
MW836.05 g/mol
LogP15.34
Rot. Bonds12

About 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine

1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine (PubChem CID 176729025) has the molecular formula C61H45N3O and a molecular weight of 836.05 g/mol. Its IUPAC name is 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine
PubChem CID176729025
Molecular FormulaC61H45N3O
Molecular Weight836.05 g/mol
Exact Mass835.36
IUPAC Name1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2ccc3c(c2)oc2c(-c4ccc(-c5ccccc5-c5cc(CCc6ccc(-c7ccccn7)cc6)cc(CCc6ccc(-c7ccccn7)cc6)c5)cc4)nccc23)cc1
InChIInChI=1S/C61H45N3O/c1-2-10-46(11-3-1)51-32-33-55-56-34-37-64-60(61(56)65-59(55)41-51)50-30-28-47(29-31-50)53-12-4-5-13-54(53)52-39-44(18-16-42-20-24-48(25-21-42)57-14-6-8-35-62-57)38-45(40-52)19-17-43-22-26-49(27-23-43)58-15-7-9-36-63-58/h1-15,20-41H,16-19H2
InChIKeyAJELZJVZUVOMSX-UHFFFAOYSA-N
XLogP15.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.05
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzofuran-4-yl)pyridine;iridium(3+)
CID 165148226
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525
2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148975
2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine
CID 153458075
8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one
CID 165148897
2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 165148195
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine
CID 165148204
2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
CID 165149243
5-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]benzene-1,3-dicarbonitrile
CID 165148385
10-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-4,6-dimethyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153458251
2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine
CID 176729035

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine (CID 176729025) is 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2ccc3c(c2)oc2c(-c4ccc(-c5ccccc5-c5cc(CCc6ccc(-c7ccccn7)cc6)cc(CCc6ccc(-c7ccccn7)cc6)c5)cc4)nccc23)cc1.
What is the InChIKey of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is AJELZJVZUVOMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N3O/c1-2-10-46(11-3-1)51-32-33-55-56-34-37-64-60(61(56)65-59(55)41-51)50-30-28-47(29-31-50)53-12-4-5-13-54(53)52-39-44(18-16-42-20-24-48(25-21-42)57-14-6-8-35-62-57)38-45(40-52)19-17-43-22-26-49(27-23-43)58-15-7-9-36-63-58/h1-15,20-41H,16-19H2.
What are the key properties of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine?
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 836.05 g/mol, XLogP of 15.34, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 176729025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).