[4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone

C87H58N4O — CID 59428689

IUPAC[4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2cc(-c3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)nc3-c3ccccc3)cc(-c3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)nc3-c3ccccc3)c2)cc1
InChIInChI=1S/C87H58N4O/c92-87(68-44-26-9-27-45-68)69-48-46-59(47-49-69)70-50-73(83-75(60-28-10-1-11-29-60)57-81(90-85(83)66-40-22-7-23-41-66)71-53-77(62-32-14-3-15-33-62)88-78(54-71)63-34-16-4-17-35-63)52-74(51-70)84-76(61-30-12-2-13-31-61)58-82(91-86(84)67-42-24-8-25-43-67)72-55-79(64-36-18-5-19-37-64)89-80(56-72)65-38-20-6-21-39-65/h1-58H
InChIKeyYVDBOZRVONQMBY-UHFFFAOYSA-N
MW1175.45 g/mol
LogP22.17
Rot. Bonds15

About [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone

[4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone (PubChem CID 59428689) has the molecular formula C87H58N4O and a molecular weight of 1175.45 g/mol. Its IUPAC name is [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone
PubChem CID59428689
Molecular FormulaC87H58N4O
Molecular Weight1175.45 g/mol
Exact Mass1174.46
IUPAC Name[4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2cc(-c3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)nc3-c3ccccc3)cc(-c3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)nc3-c3ccccc3)c2)cc1
InChIInChI=1S/C87H58N4O/c92-87(68-44-26-9-27-45-68)69-48-46-59(47-49-69)70-50-73(83-75(60-28-10-1-11-29-60)57-81(90-85(83)66-40-22-7-23-41-66)71-53-77(62-32-14-3-15-33-62)88-78(54-71)63-34-16-4-17-35-63)52-74(51-70)84-76(61-30-12-2-13-31-61)58-82(91-86(84)67-42-24-8-25-43-67)72-55-79(64-36-18-5-19-37-64)89-80(56-72)65-38-20-6-21-39-65/h1-58H
InChIKeyYVDBOZRVONQMBY-UHFFFAOYSA-N
XLogP22.17
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.45
LogP ≤ 522.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone (CID 59428689) is [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(-c2cc(-c3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)nc3-c3ccccc3)cc(-c3c(-c4ccccc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)nc3-c3ccccc3)c2)cc1.
What is the InChIKey of [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone?
The InChIKey is YVDBOZRVONQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H58N4O/c92-87(68-44-26-9-27-45-68)69-48-46-59(47-49-69)70-50-73(83-75(60-28-10-1-11-29-60)57-81(90-85(83)66-40-22-7-23-41-66)71-53-77(62-32-14-3-15-33-62)88-78(54-71)63-34-16-4-17-35-63)52-74(51-70)84-76(61-30-12-2-13-31-61)58-82(91-86(84)67-42-24-8-25-43-67)72-55-79(64-36-18-5-19-37-64)89-80(56-72)65-38-20-6-21-39-65/h1-58H.
What are the key properties of [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone?
[4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone has a molecular weight of 1175.45 g/mol, XLogP of 22.17, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 59428689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).