8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline

C32H19ClF3N — CID 170290221

IUPAC8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline
SMILESFC(F)(F)c1cc(Cl)cc(-c2ccc3ccc(-c4ccc(-c5cccc6cccnc56)cc4)cc3c2)c1
InChIInChI=1S/C32H19ClF3N/c33-29-18-27(17-28(19-29)32(34,35)36)25-13-9-21-8-12-24(15-26(21)16-25)20-6-10-22(11-7-20)30-5-1-3-23-4-2-14-37-31(23)30/h1-19H
InChIKeyYUIKKNQCZWVVPB-UHFFFAOYSA-N
MW509.96 g/mol
LogP10.06
Rot. Bonds3

About 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline

8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline (PubChem CID 170290221) has the molecular formula C32H19ClF3N and a molecular weight of 509.96 g/mol. Its IUPAC name is 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline
PubChem CID170290221
Molecular FormulaC32H19ClF3N
Molecular Weight509.96 g/mol
Exact Mass509.12
IUPAC Name8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline
SMILESFC(F)(F)c1cc(Cl)cc(-c2ccc3ccc(-c4ccc(-c5cccc6cccnc56)cc4)cc3c2)c1
InChIInChI=1S/C32H19ClF3N/c33-29-18-27(17-28(19-29)32(34,35)36)25-13-9-21-8-12-24(15-26(21)16-25)20-6-10-22(11-7-20)30-5-1-3-23-4-2-14-37-31(23)30/h1-19H
InChIKeyYUIKKNQCZWVVPB-UHFFFAOYSA-N
XLogP10.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.96
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline (CID 170290221) is 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline is FC(F)(F)c1cc(Cl)cc(-c2ccc3ccc(-c4ccc(-c5cccc6cccnc56)cc4)cc3c2)c1.
What is the InChIKey of 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline?
The InChIKey is YUIKKNQCZWVVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19ClF3N/c33-29-18-27(17-28(19-29)32(34,35)36)25-13-9-21-8-12-24(15-26(21)16-25)20-6-10-22(11-7-20)30-5-1-3-23-4-2-14-37-31(23)30/h1-19H.
What are the key properties of 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline?
8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline has a molecular weight of 509.96 g/mol, XLogP of 10.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline is sourced from PubChem (CID 170290221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).