3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol

C51H35N7O — CID 142438955

IUPAC3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol
SMILESOc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cnn(-c5ccccc5)n4)cc(-c4ccccc4-c4cnn(-c5ccccc5)n4)c3)cn2)c1
InChIInChI=1S/C51H35N7O/c59-42-19-13-14-35(31-42)49-27-26-36(32-52-49)43-20-7-8-21-44(43)37-28-38(45-22-9-11-24-47(45)50-33-53-57(55-50)40-15-3-1-4-16-40)30-39(29-37)46-23-10-12-25-48(46)51-34-54-58(56-51)41-17-5-2-6-18-41/h1-34,59H
InChIKeyGXNVZVFPKLHVIZ-UHFFFAOYSA-N
MW761.89 g/mol
LogP11.62
Rot. Bonds9

About 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol

3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol (PubChem CID 142438955) has the molecular formula C51H35N7O and a molecular weight of 761.89 g/mol. Its IUPAC name is 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol
PubChem CID142438955
Molecular FormulaC51H35N7O
Molecular Weight761.89 g/mol
Exact Mass761.29
IUPAC Name3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol
SMILESOc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cnn(-c5ccccc5)n4)cc(-c4ccccc4-c4cnn(-c5ccccc5)n4)c3)cn2)c1
InChIInChI=1S/C51H35N7O/c59-42-19-13-14-35(31-42)49-27-26-36(32-52-49)43-20-7-8-21-44(43)37-28-38(45-22-9-11-24-47(45)50-33-53-57(55-50)40-15-3-1-4-16-40)30-39(29-37)46-23-10-12-25-48(46)51-34-54-58(56-51)41-17-5-2-6-18-41/h1-34,59H
InChIKeyGXNVZVFPKLHVIZ-UHFFFAOYSA-N
XLogP11.62
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.89
LogP ≤ 511.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol?
The IUPAC name of 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol (CID 142438955) is 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol is Oc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cnn(-c5ccccc5)n4)cc(-c4ccccc4-c4cnn(-c5ccccc5)n4)c3)cn2)c1.
What is the InChIKey of 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol?
The InChIKey is GXNVZVFPKLHVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N7O/c59-42-19-13-14-35(31-42)49-27-26-36(32-52-49)43-20-7-8-21-44(43)37-28-38(45-22-9-11-24-47(45)50-33-53-57(55-50)40-15-3-1-4-16-40)30-39(29-37)46-23-10-12-25-48(46)51-34-54-58(56-51)41-17-5-2-6-18-41/h1-34,59H.
What are the key properties of 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol?
3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol has a molecular weight of 761.89 g/mol, XLogP of 11.62, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 142438955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).