9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C40H24N2O — CID 162781609

About 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 162781609) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 162781609
• Molecular Formula: C40H24N2O
• Molecular Weight: 548.65 g/mol
• Exact Mass: 548.19
• IUPAC Name: 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6cc7c(cc6c5)oc5ccccc57)c4ccc32)cc1
• InChI: InChI=1S/C40H24N2O/c1-2-10-27(11-3-1)41-33-15-7-4-13-30(33)39-35(41)20-21-36-40(39)31-14-5-8-16-34(31)42(36)28-19-18-25-23-32-29-12-6-9-17-37(29)43-38(32)24-26(25)22-28/h1-24H
• InChIKey: IZPGZWSDNIXEQU-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.65
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 162781609) is 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6cc7c(cc6c5)oc5ccccc57)c4ccc32)cc1.

What is the InChIKey of 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is IZPGZWSDNIXEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-10-27(11-3-1)41-33-15-7-4-13-30(33)39-35(41)20-21-36-40(39)31-14-5-8-16-34(31)42(36)28-19-18-25-23-32-29-12-6-9-17-37(29)43-38(32)24-26(25)22-28/h1-24H.

What are the key properties of 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 548.65 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 162781609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).