2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline

C51H33N3 — CID 66764530

IUPAC2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)c5ccccc5n4)cc(-c4cc(-c5ccccc5)c5ccccc5n4)c3)nc3ccccc23)cc1
InChIInChI=1S/C51H33N3/c1-4-16-34(17-5-1)43-31-49(52-46-25-13-10-22-40(43)46)37-28-38(50-32-44(35-18-6-2-7-19-35)41-23-11-14-26-47(41)53-50)30-39(29-37)51-33-45(36-20-8-3-9-21-36)42-24-12-15-27-48(42)54-51/h1-33H
InChIKeyYZCWKMLLWOUBAH-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.33
Rot. Bonds6

About 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline

2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline (PubChem CID 66764530) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline.

Molecular Properties

Compound Name2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
PubChem CID66764530
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)c5ccccc5n4)cc(-c4cc(-c5ccccc5)c5ccccc5n4)c3)nc3ccccc23)cc1
InChIInChI=1S/C51H33N3/c1-4-16-34(17-5-1)43-31-49(52-46-25-13-10-22-40(43)46)37-28-38(50-32-44(35-18-6-2-7-19-35)41-23-11-14-26-47(41)53-50)30-39(29-37)51-33-45(36-20-8-3-9-21-36)42-24-12-15-27-48(42)54-51/h1-33H
InChIKeyYZCWKMLLWOUBAH-UHFFFAOYSA-N
XLogP13.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline?
The IUPAC name of 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline (CID 66764530) is 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline.
What is the SMILES notation for 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline?
The canonical SMILES for 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)c5ccccc5n4)cc(-c4cc(-c5ccccc5)c5ccccc5n4)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline?
The InChIKey is YZCWKMLLWOUBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-4-16-34(17-5-1)43-31-49(52-46-25-13-10-22-40(43)46)37-28-38(50-32-44(35-18-6-2-7-19-35)41-23-11-14-26-47(41)53-50)30-39(29-37)51-33-45(36-20-8-3-9-21-36)42-24-12-15-27-48(42)54-51/h1-33H.
What are the key properties of 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline?
2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline has a molecular weight of 687.85 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline is sourced from PubChem (CID 66764530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).