5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C74H48N4O — CID 153458130

IUPAC5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5oc6ncccc6c45)ncc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cc2)cc1
InChIInChI=1S/C74H48N4O/c1-4-18-49(19-5-1)50-33-35-51(36-34-50)67-45-71(65-30-16-32-72-73(65)66-31-17-41-75-74(66)79-72)78-48-68(67)64-29-15-14-28-63(64)58-43-56(61-26-12-10-24-59(61)54-37-39-69(76-46-54)52-20-6-2-7-21-52)42-57(44-58)62-27-13-11-25-60(62)55-38-40-70(77-47-55)53-22-8-3-9-23-53/h1-48H
InChIKeyDWSXDLSDMWCELN-UHFFFAOYSA-N
MW1009.23 g/mol
LogP19.50
Rot. Bonds11

About 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 153458130) has the molecular formula C74H48N4O and a molecular weight of 1009.23 g/mol. Its IUPAC name is 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID153458130
Molecular FormulaC74H48N4O
Molecular Weight1009.23 g/mol
Exact Mass1008.38
IUPAC Name5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5oc6ncccc6c45)ncc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cc2)cc1
InChIInChI=1S/C74H48N4O/c1-4-18-49(19-5-1)50-33-35-51(36-34-50)67-45-71(65-30-16-32-72-73(65)66-31-17-41-75-74(66)79-72)78-48-68(67)64-29-15-14-28-63(64)58-43-56(61-26-12-10-24-59(61)54-37-39-69(76-46-54)52-20-6-2-7-21-52)42-57(44-58)62-27-13-11-25-60(62)55-38-40-70(77-47-55)53-22-8-3-9-23-53/h1-48H
InChIKeyDWSXDLSDMWCELN-UHFFFAOYSA-N
XLogP19.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.23
LogP ≤ 519.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458209
5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-6H-[1]benzofuro[2,3-b]pyridin-6-ide;iridium(3+)
CID 165149542
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-dibenzofuran-3-ylphenyl)-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-dibenzofuran-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;tris(iridium(3+))
CID 159641565
5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168784897
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458604
5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785670
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 153458130) is 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccc(-c3cc(-c4cccc5oc6ncccc6c45)ncc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cc2)cc1.
What is the InChIKey of 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is DWSXDLSDMWCELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N4O/c1-4-18-49(19-5-1)50-33-35-51(36-34-50)67-45-71(65-30-16-32-72-73(65)66-31-17-41-75-74(66)79-72)78-48-68(67)64-29-15-14-28-63(64)58-43-56(61-26-12-10-24-59(61)54-37-39-69(76-46-54)52-20-6-2-7-21-52)42-57(44-58)62-27-13-11-25-60(62)55-38-40-70(77-47-55)53-22-8-3-9-23-53/h1-48H.
What are the key properties of 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1009.23 g/mol, XLogP of 19.50, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 153458130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).