2-phenyl-14-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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

C57H35N3O — CID 155246465

About 2-phenyl-14-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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 155246465) has the molecular formula C57H35N3O and a molecular weight of 777.93 g/mol. Its IUPAC name is 2-phenyl-14-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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: 155246465
• Molecular Formula: C57H35N3O
• Molecular Weight: 777.93 g/mol
• Exact Mass: 777.28
• IUPAC Name: 2-phenyl-14-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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(-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7c(-c8ccccc8)c8c(cc67)oc6ccccc68)cc5)c4)c4ccccc4n3)c2)cc1
• InChI: InChI=1S/C57H35N3O/c1-3-15-36(16-4-1)41-20-14-22-43(34-41)57-59-49-27-11-8-24-45(49)56(60-57)42-21-13-19-40(33-42)37-29-31-39(32-30-37)55-47-35-51-54(46-25-9-12-28-50(46)61-51)52(38-17-5-2-6-18-38)53(47)44-23-7-10-26-48(44)58-55/h1-35H
• InChIKey: WGIWXCJRFNBSPN-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.93
LogP ≤ 5	15.23
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-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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 155246465) is 2-phenyl-14-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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(-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7c(-c8ccccc8)c8c(cc67)oc6ccccc68)cc5)c4)c4ccccc4n3)c2)cc1.

What is the InChIKey of 2-phenyl-14-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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 WGIWXCJRFNBSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O/c1-3-15-36(16-4-1)41-20-14-22-43(34-41)57-59-49-27-11-8-24-45(49)56(60-57)42-21-13-19-40(33-42)37-29-31-39(32-30-37)55-47-35-51-54(46-25-9-12-28-50(46)61-51)52(38-17-5-2-6-18-38)53(47)44-23-7-10-26-48(44)58-55/h1-35H.

What are the key properties of 2-phenyl-14-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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 777.93 g/mol, XLogP of 15.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-14-[4-[3-[2-(3-phenylphenyl)quinazolin-4-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 155246465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).