14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C56H35N3 — CID 129124284

About 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 129124284) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• PubChem CID: 129124284
• Molecular Formula: C56H35N3
• Molecular Weight: 749.92 g/mol
• Exact Mass: 749.28
• IUPAC Name: 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c(-c4cccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c4)nc4ccccc4c32)cc1
• InChI: InChI=1S/C56H35N3/c1-3-16-42(17-4-1)56(43-18-5-2-6-19-43)47-22-9-7-20-44(47)52-48(56)32-31-46-51(52)45-21-8-10-23-50(45)59-53(46)41-14-11-13-40(35-41)36-24-26-37(27-25-36)49-33-30-39-29-28-38-15-12-34-57-54(38)55(39)58-49/h1-35H
• InChIKey: FGMHSKCNDLWPSO-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.92
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The IUPAC name of 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 129124284) is 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The canonical SMILES for 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c(-c4cccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c4)nc4ccccc4c32)cc1.

What is the InChIKey of 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The InChIKey is FGMHSKCNDLWPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c1-3-16-42(17-4-1)56(43-18-5-2-6-19-43)47-22-9-7-20-44(47)52-48(56)32-31-46-51(52)45-21-8-10-23-50(45)59-53(46)41-14-11-13-40(35-41)36-24-26-37(27-25-36)49-33-30-39-29-28-38-15-12-34-57-54(38)55(39)58-49/h1-35H.

What are the key properties of 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 749.92 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 129124284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).