2-phenyl-14-[4-(4-quinolin-2-ylphenyl)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

C46H28N2O — CID 149484090

About 2-phenyl-14-[4-(4-quinolin-2-ylphenyl)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-[4-(4-quinolin-2-ylphenyl)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 149484090) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 2-phenyl-14-[4-(4-quinolin-2-ylphenyl)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-[4-(4-quinolin-2-ylphenyl)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: 149484090
• Molecular Formula: C46H28N2O
• Molecular Weight: 624.74 g/mol
• Exact Mass: 624.22
• IUPAC Name: 2-phenyl-14-[4-(4-quinolin-2-ylphenyl)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(-c2c3c(cc4c(-c5ccc(-c6ccc(-c7ccc8ccccc8n7)cc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1
• InChI: InChI=1S/C46H28N2O/c1-2-11-33(12-3-1)43-44-35-13-5-8-16-40(35)48-46(37(44)28-42-45(43)36-14-6-9-17-41(36)49-42)34-24-20-30(21-25-34)29-18-22-32(23-19-29)39-27-26-31-10-4-7-15-38(31)47-39/h1-28H
• InChIKey: ZDVFPBKORHXPSL-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.74
LogP ≤ 5	12.50
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 2-phenyl-14-[4-(4-quinolin-2-ylphenyl)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-[4-(4-quinolin-2-ylphenyl)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 149484090) is 2-phenyl-14-[4-(4-quinolin-2-ylphenyl)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-[4-(4-quinolin-2-ylphenyl)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-[4-(4-quinolin-2-ylphenyl)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(-c2c3c(cc4c(-c5ccc(-c6ccc(-c7ccc8ccccc8n7)cc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1.

What is the InChIKey of 2-phenyl-14-[4-(4-quinolin-2-ylphenyl)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 ZDVFPBKORHXPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-11-33(12-3-1)43-44-35-13-5-8-16-40(35)48-46(37(44)28-42-45(43)36-14-6-9-17-41(36)49-42)34-24-20-30(21-25-34)29-18-22-32(23-19-29)39-27-26-31-10-4-7-15-38(31)47-39/h1-28H.

What are the key properties of 2-phenyl-14-[4-(4-quinolin-2-ylphenyl)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-[4-(4-quinolin-2-ylphenyl)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 624.74 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-14-[4-(4-quinolin-2-ylphenyl)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 149484090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).