N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine

C50H29F3N6O — CID 168765517

About N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine

N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine (PubChem CID 168765517) has the molecular formula C50H29F3N6O and a molecular weight of 786.82 g/mol. Its IUPAC name is N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine
• PubChem CID: 168765517
• Molecular Formula: C50H29F3N6O
• Molecular Weight: 786.82 g/mol
• Exact Mass: 786.24
• IUPAC Name: N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine
• SMILES: FC(F)(F)c1cnc2c(oc3ccccc32)c1-c1ccc2cc(N(c3ccc(-c4ccc5cccnc5n4)cc3)c3ccc(-c4ccc5cccnc5n4)cc3)ccc2c1
• InChI: InChI=1S/C50H29F3N6O/c51-50(52,53)41-29-56-46-40-7-1-2-8-44(40)60-47(46)45(41)36-10-9-35-28-39(22-15-34(35)27-36)59(37-18-11-30(12-19-37)42-23-16-32-5-3-25-54-48(32)57-42)38-20-13-31(14-21-38)43-24-17-33-6-4-26-55-49(33)58-43/h1-29H
• InChIKey: QTEMVEOVOPVJTK-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 80.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.82
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine?

The IUPAC name of N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine (CID 168765517) is N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine.

What is the SMILES notation for N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine?

The canonical SMILES for N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine is FC(F)(F)c1cnc2c(oc3ccccc32)c1-c1ccc2cc(N(c3ccc(-c4ccc5cccnc5n4)cc3)c3ccc(-c4ccc5cccnc5n4)cc3)ccc2c1.

What is the InChIKey of N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine?

The InChIKey is QTEMVEOVOPVJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29F3N6O/c51-50(52,53)41-29-56-46-40-7-1-2-8-44(40)60-47(46)45(41)36-10-9-35-28-39(22-15-34(35)27-36)59(37-18-11-30(12-19-37)42-23-16-32-5-3-25-54-48(32)57-42)38-20-13-31(14-21-38)43-24-17-33-6-4-26-55-49(33)58-43/h1-29H.

What are the key properties of N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine?

N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine has a molecular weight of 786.82 g/mol, XLogP of 13.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[4-(1,8-naphthyridin-2-yl)phenyl]-6-[3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridin-4-yl]naphthalen-2-amine is sourced from PubChem (CID 168765517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).