24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene

C44H26N4 — CID 164836837

About 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene

24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene (PubChem CID 164836837) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
• PubChem CID: 164836837
• Molecular Formula: C44H26N4
• Molecular Weight: 610.72 g/mol
• Exact Mass: 610.22
• IUPAC Name: 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3c2c2cnccc2c2c4ccccc4n(-c4cc5c6ccccc6c6ccccc6c5cn4)c23)cc1
• InChI: InChI=1S/C44H26N4/c1-2-12-27(13-3-1)47-38-20-10-9-19-34(38)42-43(47)37-25-45-23-22-32(37)41-33-18-8-11-21-39(33)48(44(41)42)40-24-35-30-16-6-4-14-28(30)29-15-5-7-17-31(29)36(35)26-46-40/h1-26H
• InChIKey: DECZZXROPNFPRF-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	11.28
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 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

The IUPAC name of 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene (CID 164836837) is 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene.

What is the SMILES notation for 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

The canonical SMILES for 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3c2c2cnccc2c2c4ccccc4n(-c4cc5c6ccccc6c6ccccc6c5cn4)c23)cc1.

What is the InChIKey of 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

The InChIKey is DECZZXROPNFPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-2-12-27(13-3-1)47-38-20-10-9-19-34(38)42-43(47)37-25-45-23-22-32(37)41-33-18-8-11-21-39(33)48(44(41)42)40-24-35-30-16-6-4-14-28(30)29-15-5-7-17-31(29)36(35)26-46-40/h1-26H.

What are the key properties of 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene has a molecular weight of 610.72 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24-phenanthro[9,10-c]pyridin-3-yl-9-phenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene is sourced from PubChem (CID 164836837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).