[3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate

C88H56N6O8 — CID 138744216

IUPAC[3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate
SMILESO=C(Oc1cc(OC(=O)c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(OC(=O)c6ccc(-c7ccccc7)nc6)cc(OC(=O)c6ccc(-c7ccccc7)nc6)c5)cn4)c3)nc2)c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C88H56N6O8/c95-85(65-34-40-79(91-53-65)57-18-5-1-6-19-57)99-71-45-69(46-72(49-71)100-86(96)66-35-41-80(92-54-66)58-20-7-2-8-21-58)77-30-15-13-28-75(77)63-32-38-83(89-51-63)61-26-17-27-62(44-61)84-39-33-64(52-90-84)76-29-14-16-31-78(76)70-47-73(101-87(97)67-36-42-81(93-55-67)59-22-9-3-10-23-59)50-74(48-70)102-88(98)68-37-43-82(94-56-68)60-24-11-4-12-25-60/h1-56H
InChIKeyRZHGBPGJLWJJGU-UHFFFAOYSA-N
MW1325.45 g/mol
LogP19.60
Rot. Bonds18

About [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate

[3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate (PubChem CID 138744216) has the molecular formula C88H56N6O8 and a molecular weight of 1325.45 g/mol. Its IUPAC name is [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name[3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate
PubChem CID138744216
Molecular FormulaC88H56N6O8
Molecular Weight1325.45 g/mol
Exact Mass1324.42
IUPAC Name[3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate
SMILESO=C(Oc1cc(OC(=O)c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(OC(=O)c6ccc(-c7ccccc7)nc6)cc(OC(=O)c6ccc(-c7ccccc7)nc6)c5)cn4)c3)nc2)c1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C88H56N6O8/c95-85(65-34-40-79(91-53-65)57-18-5-1-6-19-57)99-71-45-69(46-72(49-71)100-86(96)66-35-41-80(92-54-66)58-20-7-2-8-21-58)77-30-15-13-28-75(77)63-32-38-83(89-51-63)61-26-17-27-62(44-61)84-39-33-64(52-90-84)76-29-14-16-31-78(76)70-47-73(101-87(97)67-36-42-81(93-55-67)59-22-9-3-10-23-59)50-74(48-70)102-88(98)68-37-43-82(94-56-68)60-24-11-4-12-25-60/h1-56H
InChIKeyRZHGBPGJLWJJGU-UHFFFAOYSA-N
XLogP19.60
TPSA182.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.45
LogP ≤ 519.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate?
The IUPAC name of [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate (CID 138744216) is [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate.
What is the SMILES notation for [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate?
The canonical SMILES for [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate is O=C(Oc1cc(OC(=O)c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(OC(=O)c6ccc(-c7ccccc7)nc6)cc(OC(=O)c6ccc(-c7ccccc7)nc6)c5)cn4)c3)nc2)c1)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate?
The InChIKey is RZHGBPGJLWJJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H56N6O8/c95-85(65-34-40-79(91-53-65)57-18-5-1-6-19-57)99-71-45-69(46-72(49-71)100-86(96)66-35-41-80(92-54-66)58-20-7-2-8-21-58)77-30-15-13-28-75(77)63-32-38-83(89-51-63)61-26-17-27-62(44-61)84-39-33-64(52-90-84)76-29-14-16-31-78(76)70-47-73(101-87(97)67-36-42-81(93-55-67)59-22-9-3-10-23-59)50-74(48-70)102-88(98)68-37-43-82(94-56-68)60-24-11-4-12-25-60/h1-56H.
What are the key properties of [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate?
[3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate has a molecular weight of 1325.45 g/mol, XLogP of 19.60, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[6-[3-[5-[2-[3,5-bis[(6-phenylpyridine-3-carbonyl)oxy]phenyl]phenyl]-2-pyridinyl]phenyl]-3-pyridinyl]phenyl]-5-(6-phenylpyridine-3-carbonyl)oxyphenyl] 6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 138744216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).