4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile

C50H29N7O — CID 168765628

About 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile

4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile (PubChem CID 168765628) has the molecular formula C50H29N7O and a molecular weight of 743.83 g/mol. Its IUPAC name is 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
• PubChem CID: 168765628
• Molecular Formula: C50H29N7O
• Molecular Weight: 743.83 g/mol
• Exact Mass: 743.24
• IUPAC Name: 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
• SMILES: N#Cc1cnc2c(oc3ccccc32)c1-c1ccc2cc(N(c3ccc(-c4ccc5ncccc5n4)cc3)c3ccc(-c4ccc5ncccc5n4)cc3)ccc2c1
• InChI: InChI=1S/C50H29N7O/c51-29-36-30-54-49-40-5-1-2-8-47(40)58-50(49)48(36)35-10-9-34-28-39(20-15-33(34)27-35)57(37-16-11-31(12-17-37)41-21-23-43-45(55-41)6-3-25-52-43)38-18-13-32(14-19-38)42-22-24-44-46(56-42)7-4-26-53-44/h1-28,30H
• InChIKey: KMYSYJFEMDFZBJ-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 104.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.83
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile (CID 168765628) is 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile is N#Cc1cnc2c(oc3ccccc32)c1-c1ccc2cc(N(c3ccc(-c4ccc5ncccc5n4)cc3)c3ccc(-c4ccc5ncccc5n4)cc3)ccc2c1.

What is the InChIKey of 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?

The InChIKey is KMYSYJFEMDFZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N7O/c51-29-36-30-54-49-40-5-1-2-8-47(40)58-50(49)48(36)35-10-9-34-28-39(20-15-33(34)27-35)57(37-16-11-31(12-17-37)41-21-23-43-45(55-41)6-3-25-52-43)38-18-13-32(14-19-38)42-22-24-44-46(56-42)7-4-26-53-44/h1-28,30H.

What are the key properties of 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?

4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile has a molecular weight of 743.83 g/mol, XLogP of 12.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 168765628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).