(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone

C69H46N4O — CID 58850905

IUPAC(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone
SMILESO=C(c1c(-c2ccccc2)c(-c2ccccc2)c(-c2cccnc2)c(-c2ccccn2)c1-c1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccn2)c(-c2ccccn2)c1-c1ccccc1
InChIInChI=1S/C69H46N4O/c74-69(67-59(49-30-11-3-12-31-49)57(47-26-7-1-8-27-47)63(53-38-25-42-70-46-53)64(54-39-19-22-43-71-54)61(67)51-34-15-5-16-35-51)68-60(50-32-13-4-14-33-50)58(48-28-9-2-10-29-48)65(55-40-20-23-44-72-55)66(56-41-21-24-45-73-56)62(68)52-36-17-6-18-37-52/h1-46H
InChIKeyIWLVLTTUPRZBBN-UHFFFAOYSA-N
MW947.15 g/mol
LogP17.17
Rot. Bonds12

About (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone

(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone (PubChem CID 58850905) has the molecular formula C69H46N4O and a molecular weight of 947.15 g/mol. Its IUPAC name is (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone
PubChem CID58850905
Molecular FormulaC69H46N4O
Molecular Weight947.15 g/mol
Exact Mass946.37
IUPAC Name(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone
SMILESO=C(c1c(-c2ccccc2)c(-c2ccccc2)c(-c2cccnc2)c(-c2ccccn2)c1-c1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccn2)c(-c2ccccn2)c1-c1ccccc1
InChIInChI=1S/C69H46N4O/c74-69(67-59(49-30-11-3-12-31-49)57(47-26-7-1-8-27-47)63(53-38-25-42-70-46-53)64(54-39-19-22-43-71-54)61(67)51-34-15-5-16-35-51)68-60(50-32-13-4-14-33-50)58(48-28-9-2-10-29-48)65(55-40-20-23-44-72-55)66(56-41-21-24-45-73-56)62(68)52-36-17-6-18-37-52/h1-46H
InChIKeyIWLVLTTUPRZBBN-UHFFFAOYSA-N
XLogP17.17
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.15
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone?
The IUPAC name of (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone (CID 58850905) is (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone?
The canonical SMILES for (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone is O=C(c1c(-c2ccccc2)c(-c2ccccc2)c(-c2cccnc2)c(-c2ccccn2)c1-c1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccn2)c(-c2ccccn2)c1-c1ccccc1.
What is the InChIKey of (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone?
The InChIKey is IWLVLTTUPRZBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N4O/c74-69(67-59(49-30-11-3-12-31-49)57(47-26-7-1-8-27-47)63(53-38-25-42-70-46-53)64(54-39-19-22-43-71-54)61(67)51-34-15-5-16-35-51)68-60(50-32-13-4-14-33-50)58(48-28-9-2-10-29-48)65(55-40-20-23-44-72-55)66(56-41-21-24-45-73-56)62(68)52-36-17-6-18-37-52/h1-46H.
What are the key properties of (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone?
(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone has a molecular weight of 947.15 g/mol, XLogP of 17.17, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)-(2,3,6-triphenyl-5-pyridin-2-yl-4-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 58850905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).