9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine

C40H23N3O3 — CID 177081834

About 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine

9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine (PubChem CID 177081834) has the molecular formula C40H23N3O3 and a molecular weight of 593.64 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine.

Molecular Properties

• Compound Name: 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
• PubChem CID: 177081834
• Molecular Formula: C40H23N3O3
• Molecular Weight: 593.64 g/mol
• Exact Mass: 593.17
• IUPAC Name: 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
• SMILES: c1ccc(N(c2ccc3oc4c5ccccc5ccc4c3c2)c2cc3oc4cccc(-c5nc6ccccc6o5)c4c3cn2)cc1
• InChI: InChI=1S/C40H23N3O3/c1-2-10-25(11-3-1)43(26-18-20-33-30(21-26)28-19-17-24-9-4-5-12-27(24)39(28)45-33)37-22-36-31(23-41-37)38-29(13-8-16-35(38)44-36)40-42-32-14-6-7-15-34(32)46-40/h1-23H
• InChIKey: XNEBUSVJCUJHRF-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 68.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.64
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?

The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine (CID 177081834) is 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine.

What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?

The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine is c1ccc(N(c2ccc3oc4c5ccccc5ccc4c3c2)c2cc3oc4cccc(-c5nc6ccccc6o5)c4c3cn2)cc1.

What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?

The InChIKey is XNEBUSVJCUJHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O3/c1-2-10-25(11-3-1)43(26-18-20-33-30(21-26)28-19-17-24-9-4-5-12-27(24)39(28)45-33)37-22-36-31(23-41-37)38-29(13-8-16-35(38)44-36)40-42-32-14-6-7-15-34(32)46-40/h1-23H.

What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine?

9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine has a molecular weight of 593.64 g/mol, XLogP of 11.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1,3-benzoxazol-2-yl)-N-naphtho[1,2-b][1]benzofuran-8-yl-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine is sourced from PubChem (CID 177081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).