2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine

C99H69N3O3 — CID 165148841

IUPAC2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine
SMILESCc1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)ncc1CCc1cc(CCc2cnc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2C)cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C99H69N3O3/c1-62-50-91(72-25-14-22-69(55-72)79-33-17-36-86-83-30-8-11-39-94(83)103-97(79)86)100-59-75(62)44-42-64-52-65(43-45-76-60-101-92(51-63(76)2)73-26-15-23-70(56-73)80-34-18-37-87-84-31-9-12-40-95(84)104-98(80)87)54-77(53-64)78-28-6-7-29-82(78)90-61-102-93(58-89(90)68-48-46-67(47-49-68)66-20-4-3-5-21-66)74-27-16-24-71(57-74)81-35-19-38-88-85-32-10-13-41-96(85)105-99(81)88/h3-41,46-61H,42-45H2,1-2H3
InChIKeyPIAURHRXLNIQPS-UHFFFAOYSA-N
MW1348.66 g/mol
LogP26.43
Rot. Bonds16

About 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine

2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine (PubChem CID 165148841) has the molecular formula C99H69N3O3 and a molecular weight of 1348.66 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine.

Molecular Properties

Compound Name2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine
PubChem CID165148841
Molecular FormulaC99H69N3O3
Molecular Weight1348.66 g/mol
Exact Mass1347.53
IUPAC Name2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine
SMILESCc1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)ncc1CCc1cc(CCc2cnc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2C)cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C99H69N3O3/c1-62-50-91(72-25-14-22-69(55-72)79-33-17-36-86-83-30-8-11-39-94(83)103-97(79)86)100-59-75(62)44-42-64-52-65(43-45-76-60-101-92(51-63(76)2)73-26-15-23-70(56-73)80-34-18-37-87-84-31-9-12-40-95(84)104-98(80)87)54-77(53-64)78-28-6-7-29-82(78)90-61-102-93(58-89(90)68-48-46-67(47-49-68)66-20-4-3-5-21-66)74-27-16-24-71(57-74)81-35-19-38-88-85-32-10-13-41-96(85)105-99(81)88/h3-41,46-61H,42-45H2,1-2H3
InChIKeyPIAURHRXLNIQPS-UHFFFAOYSA-N
XLogP26.43
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.66
LogP ≤ 526.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine with MolForge

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Related Compounds

5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 165148575
6-[5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-4-methyl-2-pyridinyl]dibenzofuran-3-carbonitrile
CID 170930834
2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine
CID 153295059
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-(3-tert-butylbenzene-6-id-1-yl)-4-(4-phenylphenyl)pyridine;iridium(3+)
CID 164717263
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
6-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine
CID 121299023
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 130465782
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine
CID 165148206
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
CID 140838981

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine?
The IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine (CID 165148841) is 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine.
What is the SMILES notation for 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine?
The canonical SMILES for 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine is Cc1cc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)ncc1CCc1cc(CCc2cnc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2C)cc(-c2ccccc2-c2cnc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine?
The InChIKey is PIAURHRXLNIQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H69N3O3/c1-62-50-91(72-25-14-22-69(55-72)79-33-17-36-86-83-30-8-11-39-94(83)103-97(79)86)100-59-75(62)44-42-64-52-65(43-45-76-60-101-92(51-63(76)2)73-26-15-23-70(56-73)80-34-18-37-87-84-31-9-12-40-95(84)104-98(80)87)54-77(53-64)78-28-6-7-29-82(78)90-61-102-93(58-89(90)68-48-46-67(47-49-68)66-20-4-3-5-21-66)74-27-16-24-71(57-74)81-35-19-38-88-85-32-10-13-41-96(85)105-99(81)88/h3-41,46-61H,42-45H2,1-2H3.
What are the key properties of 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine?
2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine has a molecular weight of 1348.66 g/mol, XLogP of 26.43, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine is sourced from PubChem (CID 165148841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).