4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile

C50H29N7O — CID 168765364

About 4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile

4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile (PubChem CID 168765364) has the molecular formula C50H29N7O and a molecular weight of 743.83 g/mol. Its IUPAC name is 4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
• PubChem CID: 168765364
• Molecular Formula: C50H29N7O
• Molecular Weight: 743.83 g/mol
• Exact Mass: 743.24
• IUPAC Name: 4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile
• SMILES: N#Cc1cnc2c(oc3ccccc32)c1-c1ccc2cc(N(c3ccc(-c4ccc5ccncc5n4)cc3)c3ccc(-c4ccc5ccncc5n4)cc3)ccc2c1
• InChI: InChI=1S/C50H29N7O/c51-27-38-28-54-49-42-3-1-2-4-47(42)58-50(49)48(38)37-6-5-36-26-41(18-11-35(36)25-37)57(39-14-7-31(8-15-39)43-19-12-33-21-23-52-29-45(33)55-43)40-16-9-32(10-17-40)44-20-13-34-22-24-53-30-46(34)56-44/h1-26,28-30H
• InChIKey: LJSCFROHMSUTPM-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-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile (CID 168765364) is 4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-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-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile is N#Cc1cnc2c(oc3ccccc32)c1-c1ccc2cc(N(c3ccc(-c4ccc5ccncc5n4)cc3)c3ccc(-c4ccc5ccncc5n4)cc3)ccc2c1.

What is the InChIKey of 4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?

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

What are the key properties of 4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile?

4-[6-[4-(1,7-naphthyridin-2-yl)-N-[4-(1,7-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-(1,7-naphthyridin-2-yl)-N-[4-(1,7-naphthyridin-2-yl)phenyl]anilino]naphthalen-2-yl]-[1]benzofuro[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 168765364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).