1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine

C68H49FN2O — CID 165148629

IUPAC1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESFc1ccc(-c2ccc(-c3nccc4c3oc3ccccc34)cc2-c2ccc(-c3ccccc3)cc2)c(-c2cc(CCc3ccc(-c4ccccc4)cc3)cc(CCc3ccc(-c4ccccc4)nc3)c2)c1
InChIInChI=1S/C68H49FN2O/c69-58-34-36-60(59-35-33-56(67-68-62(38-39-70-67)61-18-10-11-19-66(61)72-68)43-63(59)54-31-29-53(30-32-54)51-14-6-2-7-15-51)64(44-58)57-41-48(22-20-46-24-27-52(28-25-46)50-12-4-1-5-13-50)40-49(42-57)23-21-47-26-37-65(71-45-47)55-16-8-3-9-17-55/h1-19,24-45H,20-23H2
InChIKeyJQAUVVNTIWNZHL-UHFFFAOYSA-N
MW929.15 g/mol
LogP17.75
Rot. Bonds13

About 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine

1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 165148629) has the molecular formula C68H49FN2O and a molecular weight of 929.15 g/mol. Its IUPAC name is 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID165148629
Molecular FormulaC68H49FN2O
Molecular Weight929.15 g/mol
Exact Mass928.38
IUPAC Name1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESFc1ccc(-c2ccc(-c3nccc4c3oc3ccccc34)cc2-c2ccc(-c3ccccc3)cc2)c(-c2cc(CCc3ccc(-c4ccccc4)cc3)cc(CCc3ccc(-c4ccccc4)nc3)c2)c1
InChIInChI=1S/C68H49FN2O/c69-58-34-36-60(59-35-33-56(67-68-62(38-39-70-67)61-18-10-11-19-66(61)72-68)43-63(59)54-31-29-53(30-32-54)51-14-6-2-7-15-51)64(44-58)57-41-48(22-20-46-24-27-52(28-25-46)50-12-4-1-5-13-50)40-49(42-57)23-21-47-26-37-65(71-45-47)55-16-8-3-9-17-55/h1-19,24-45H,20-23H2
InChIKeyJQAUVVNTIWNZHL-UHFFFAOYSA-N
XLogP17.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.15
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
US10087191, Example 90
CID 124148331
4-[5-(4-Cyano-3-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736415
4-[5-(2-Fluoro-4-aminocarbonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736417
4-[5-(4-Cyano-2-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736569
4-[5-(4-Benzyloxycarbonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736570
4-(5-Pyridin-4-yl-furo[2,3-c]pyridin-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 71736572
4-[5-(3-Fluoro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736719
N-(2-fluorobenzyl) benzofuro[2,3-c] pyridine-7-carboxamide
CID 86764558
N-(4-fluorobenzyl) benzofuro[2,3-c] pyridine-7-carboxamide, TFA
CID 86764562
N-(3-fluorobenzyl) benzofuro[2,3-c] pyridine-7-carboxamide
CID 121363520
US9914740, Xiv-36
CID 121369123

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine (CID 165148629) is 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine is Fc1ccc(-c2ccc(-c3nccc4c3oc3ccccc34)cc2-c2ccc(-c3ccccc3)cc2)c(-c2cc(CCc3ccc(-c4ccccc4)cc3)cc(CCc3ccc(-c4ccccc4)nc3)c2)c1.
What is the InChIKey of 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is JQAUVVNTIWNZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49FN2O/c69-58-34-36-60(59-35-33-56(67-68-62(38-39-70-67)61-18-10-11-19-66(61)72-68)43-63(59)54-31-29-53(30-32-54)51-14-6-2-7-15-51)64(44-58)57-41-48(22-20-46-24-27-52(28-25-46)50-12-4-1-5-13-50)40-49(42-57)23-21-47-26-37-65(71-45-47)55-16-8-3-9-17-55/h1-19,24-45H,20-23H2.
What are the key properties of 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine?
1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 929.15 g/mol, XLogP of 17.75, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-fluoro-2-[3-[2-(4-phenylphenyl)ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 165148629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).