14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene

C41H25N5 — CID 167366025

About 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene

14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene (PubChem CID 167366025) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
• PubChem CID: 167366025
• Molecular Formula: C41H25N5
• Molecular Weight: 587.69 g/mol
• Exact Mass: 587.21
• IUPAC Name: 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3c2c2nnc(-c4ccc5ccccc5c4)nc2c2c4ccccc4n(-c4ccccc4)c23)cc1
• InChI: InChI=1S/C41H25N5/c1-3-15-29(16-4-1)45-33-21-11-9-19-31(33)35-37-38(43-44-41(42-37)28-24-23-26-13-7-8-14-27(26)25-28)40-36(39(35)45)32-20-10-12-22-34(32)46(40)30-17-5-2-6-18-30/h1-25H
• InChIKey: GKAQXTPGRPDVHZ-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.69
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?

The IUPAC name of 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene (CID 167366025) is 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene.

What is the SMILES notation for 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?

The canonical SMILES for 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3c2c2nnc(-c4ccc5ccccc5c4)nc2c2c4ccccc4n(-c4ccccc4)c23)cc1.

What is the InChIKey of 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?

The InChIKey is GKAQXTPGRPDVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c1-3-15-29(16-4-1)45-33-21-11-9-19-31(33)35-37-38(43-44-41(42-37)28-24-23-26-13-7-8-14-27(26)25-28)40-36(39(35)45)32-20-10-12-22-34(32)46(40)30-17-5-2-6-18-30/h1-25H.

What are the key properties of 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?

14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene has a molecular weight of 587.69 g/mol, XLogP of 10.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene is sourced from PubChem (CID 167366025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).