10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene

C39H24N4 — CID 58037667

About 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene

10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene (PubChem CID 58037667) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene.

Molecular Properties

• Compound Name: 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
• PubChem CID: 58037667
• Molecular Formula: C39H24N4
• Molecular Weight: 548.65 g/mol
• Exact Mass: 548.20
• IUPAC Name: 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
• SMILES: c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6c5)ccc3n3c5ccccc5nc43)n2)nc1
• InChI: InChI=1S/C39H24N4/c1-2-9-26-22-27(16-15-25(26)8-1)28-18-20-37-32(23-28)31-24-29(33-12-7-13-35(41-33)34-10-5-6-21-40-34)17-19-30(31)39-42-36-11-3-4-14-38(36)43(37)39/h1-24H
• InChIKey: PRGMGPFGRWYQKF-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.65
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?

The IUPAC name of 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene (CID 58037667) is 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene.

What is the SMILES notation for 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?

The canonical SMILES for 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6c5)ccc3n3c5ccccc5nc43)n2)nc1.

What is the InChIKey of 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?

The InChIKey is PRGMGPFGRWYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c1-2-9-26-22-27(16-15-25(26)8-1)28-18-20-37-32(23-28)31-24-29(33-12-7-13-35(41-33)34-10-5-6-21-40-34)17-19-30(31)39-42-36-11-3-4-14-38(36)43(37)39/h1-24H.

What are the key properties of 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?

10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene has a molecular weight of 548.65 g/mol, XLogP of 9.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-naphthalen-2-yl-5-(6-pyridin-2-yl-2-pyridinyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene is sourced from PubChem (CID 58037667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).