2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

C46H30N2O — CID 57393411

IUPAC2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESc1ccc(-c2cc(-c3ccc(Oc4c(-c5ccc6ccccc6c5)nc5ccccc5c4-c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C46H30N2O/c1-3-14-32(15-4-1)40-30-43(47-41-21-11-9-19-38(40)41)33-25-27-37(28-26-33)49-46-44(34-16-5-2-6-17-34)39-20-10-12-22-42(39)48-45(46)36-24-23-31-13-7-8-18-35(31)29-36/h1-30H
InChIKeyRGZAYPAWFJNFGD-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.40
Rot. Bonds6

About 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (PubChem CID 57393411) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
PubChem CID57393411
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC Name2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESc1ccc(-c2cc(-c3ccc(Oc4c(-c5ccc6ccccc6c5)nc5ccccc5c4-c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C46H30N2O/c1-3-14-32(15-4-1)40-30-43(47-41-21-11-9-19-38(40)41)33-25-27-37(28-26-33)49-46-44(34-16-5-2-6-17-34)39-20-10-12-22-42(39)48-45(46)36-24-23-31-13-7-8-18-35(31)29-36/h1-30H
InChIKeyRGZAYPAWFJNFGD-UHFFFAOYSA-N
XLogP12.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (CID 57393411) is 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is c1ccc(-c2cc(-c3ccc(Oc4c(-c5ccc6ccccc6c5)nc5ccccc5c4-c4ccccc4)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The InChIKey is RGZAYPAWFJNFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-3-14-32(15-4-1)40-30-43(47-41-21-11-9-19-38(40)41)33-25-27-37(28-26-33)49-46-44(34-16-5-2-6-17-34)39-20-10-12-22-42(39)48-45(46)36-24-23-31-13-7-8-18-35(31)29-36/h1-30H.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline has a molecular weight of 626.76 g/mol, XLogP of 12.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is sourced from PubChem (CID 57393411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).