2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C55H33N3O — CID 155246426

About 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 155246426) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 155246426
• Molecular Formula: C55H33N3O
• Molecular Weight: 751.89 g/mol
• Exact Mass: 751.26
• IUPAC Name: 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc(-c7nc8ccccc8c8c(-c9ccccc9)c9c(cc78)oc7ccccc79)c6)c5)nc4c3n2)cc1
• InChI: InChI=1S/C55H33N3O/c1-3-13-34(14-4-1)45-29-27-36-25-26-37-28-30-46(57-55(37)54(36)56-45)40-19-11-17-38(31-40)39-18-12-20-41(32-39)53-44-33-49-52(43-22-8-10-24-48(43)59-49)50(35-15-5-2-6-16-35)51(44)42-21-7-9-23-47(42)58-53/h1-33H
• InChIKey: FZDPVPSRJAXKSV-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.89
LogP ≤ 5	14.72
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 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 155246426) is 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cccc(-c7nc8ccccc8c8c(-c9ccccc9)c9c(cc78)oc7ccccc79)c6)c5)nc4c3n2)cc1.

What is the InChIKey of 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is FZDPVPSRJAXKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c1-3-13-34(14-4-1)45-29-27-36-25-26-37-28-30-46(57-55(37)54(36)56-45)40-19-11-17-38(31-40)39-18-12-20-41(32-39)53-44-33-49-52(43-22-8-10-24-48(43)59-49)50(35-15-5-2-6-16-35)51(44)42-21-7-9-23-47(42)58-53/h1-33H.

What are the key properties of 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 751.89 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-14-[3-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 155246426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).