17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C51H32N2 — CID 122524604

About 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 122524604) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

• Compound Name: 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
• PubChem CID: 122524604
• Molecular Formula: C51H32N2
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.26
• IUPAC Name: 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4cc5c6cnccc6n(-c6ccccc6)c5c5ccccc45)c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C51H32N2/c1-3-15-33(16-4-1)49-39-22-10-12-24-41(39)50(42-25-13-11-23-40(42)49)43-28-27-38(35-19-7-8-20-36(35)43)45-31-46-47-32-52-30-29-48(47)53(34-17-5-2-6-18-34)51(46)44-26-14-9-21-37(44)45/h1-32H
• InChIKey: JWAZWMPIQSKCRO-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

The IUPAC name of 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 122524604) is 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

What is the SMILES notation for 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

The canonical SMILES for 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cc5c6cnccc6n(-c6ccccc6)c5c5ccccc45)c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

The InChIKey is JWAZWMPIQSKCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-3-15-33(16-4-1)49-39-22-10-12-24-41(39)50(42-25-13-11-23-40(42)49)43-28-27-38(35-19-7-8-20-36(35)43)45-31-46-47-32-52-30-29-48(47)53(34-17-5-2-6-18-34)51(46)44-26-14-9-21-37(44)45/h1-32H.

What are the key properties of 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?

17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 672.83 g/mol, XLogP of 13.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 122524604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).