3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol

C57H37N5O — CID 142438997

IUPAC3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol
SMILESOc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)c3)cn2)c1
InChIInChI=1S/C57H37N5O/c63-44-15-11-14-39(33-44)53-27-24-40(34-58-53)45-16-3-4-17-46(45)41-30-42(47-18-5-7-20-49(47)51-35-59-61-54-22-9-1-12-37(54)25-28-56(51)61)32-43(31-41)48-19-6-8-21-50(48)52-36-60-62-55-23-10-2-13-38(55)26-29-57(52)62/h1-36,63H
InChIKeyUDALRDIVAQZOHV-UHFFFAOYSA-N
MW807.96 g/mol
LogP14.06
Rot. Bonds7

About 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol

3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol (PubChem CID 142438997) has the molecular formula C57H37N5O and a molecular weight of 807.96 g/mol. Its IUPAC name is 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol
PubChem CID142438997
Molecular FormulaC57H37N5O
Molecular Weight807.96 g/mol
Exact Mass807.30
IUPAC Name3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol
SMILESOc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)c3)cn2)c1
InChIInChI=1S/C57H37N5O/c63-44-15-11-14-39(33-44)53-27-24-40(34-58-53)45-16-3-4-17-46(45)41-30-42(47-18-5-7-20-49(47)51-35-59-61-54-22-9-1-12-37(54)25-28-56(51)61)32-43(31-41)48-19-6-8-21-50(48)52-36-60-62-55-23-10-2-13-38(55)26-29-57(52)62/h1-36,63H
InChIKeyUDALRDIVAQZOHV-UHFFFAOYSA-N
XLogP14.06
TPSA67.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.96
LogP ≤ 514.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol?
The IUPAC name of 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol (CID 142438997) is 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol is Oc1cccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)cc(-c4ccccc4-c4cnn5c4ccc4ccccc45)c3)cn2)c1.
What is the InChIKey of 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol?
The InChIKey is UDALRDIVAQZOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5O/c63-44-15-11-14-39(33-44)53-27-24-40(34-58-53)45-16-3-4-17-46(45)41-30-42(47-18-5-7-20-49(47)51-35-59-61-54-22-9-1-12-37(54)25-28-56(51)61)32-43(31-41)48-19-6-8-21-50(48)52-36-60-62-55-23-10-2-13-38(55)26-29-57(52)62/h1-36,63H.
What are the key properties of 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol?
3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol has a molecular weight of 807.96 g/mol, XLogP of 14.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[3,5-bis(2-pyrazolo[1,5-a]quinolin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 142438997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).