14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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

C165H101N9O3 — CID 159236569

About 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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

14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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 159236569) has the molecular formula C165H101N9O3 and a molecular weight of 2257.68 g/mol. Its IUPAC name is 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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: 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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: 159236569
• Molecular Formula: C165H101N9O3
• Molecular Weight: 2257.68 g/mol
• Exact Mass: 2255.80
• IUPAC Name: 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6c7c(cc8c(-c9ccccc9)nc9ccccc9c68)oc6ccccc67)cc5)cc4)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc(-c6c7c(cc8c(-c9ccccc9)nc9ccccc9c68)oc6ccccc67)cc5)c4)c4ccccc4n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-c5c6c(cc7c(-c8ccccc8)nc8ccccc8c57)oc5ccccc56)cc4)c3)c3ccccc3n2)cc1
• InChI: InChI=1S/2C57H35N3O.C51H31N3O/c1-3-14-36(15-4-1)37-28-32-41(33-29-37)57-59-49-24-11-8-21-45(49)56(60-57)43-19-13-18-42(34-43)38-26-30-39(31-27-38)52-53-44-20-7-10-23-48(44)58-55(40-16-5-2-6-17-40)47(53)35-51-54(52)46-22-9-12-25-50(46)61-51;1-3-13-36(14-4-1)37-27-33-43(34-28-37)57-59-49-21-11-8-18-45(49)55(60-57)42-31-25-39(26-32-42)38-23-29-40(30-24-38)52-53-44-17-7-10-20-48(44)58-56(41-15-5-2-6-16-41)47(53)35-51-54(52)46-19-9-12-22-50(46)61-51;1-3-14-34(15-4-1)49-41-31-45-48(40-22-9-12-25-44(40)55-45)46(47(41)38-20-7-10-23-42(38)52-49)33-28-26-32(27-29-33)36-18-13-19-37(30-36)50-39-21-8-11-24-43(39)53-51(54-50)35-16-5-2-6-17-35/h2*1-35H;1-31H
• InChIKey: KTNWXMSNITUNMX-UHFFFAOYSA-N
• XLogP: 44.03
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2257.68
LogP ≤ 5	44.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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 159236569) is 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6c7c(cc8c(-c9ccccc9)nc9ccccc9c68)oc6ccccc67)cc5)cc4)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc(-c6c7c(cc8c(-c9ccccc9)nc9ccccc9c68)oc6ccccc67)cc5)c4)c4ccccc4n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc(-c5c6c(cc7c(-c8ccccc8)nc8ccccc8c57)oc5ccccc56)cc4)c3)c3ccccc3n2)cc1.

What is the InChIKey of 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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 KTNWXMSNITUNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H35N3O.C51H31N3O/c1-3-14-36(15-4-1)37-28-32-41(33-29-37)57-59-49-24-11-8-21-45(49)56(60-57)43-19-13-18-42(34-43)38-26-30-39(31-27-38)52-53-44-20-7-10-23-48(44)58-55(40-16-5-2-6-17-40)47(53)35-51-54(52)46-22-9-12-25-50(46)61-51;1-3-13-36(14-4-1)37-27-33-43(34-28-37)57-59-49-21-11-8-18-45(49)55(60-57)42-31-25-39(26-32-42)38-23-29-40(30-24-38)52-53-44-17-7-10-20-48(44)58-56(41-15-5-2-6-16-41)47(53)35-51-54(52)46-19-9-12-22-50(46)61-51;1-3-14-34(15-4-1)49-41-31-45-48(40-22-9-12-25-44(40)55-45)46(47(41)38-20-7-10-23-42(38)52-49)33-28-26-32(27-29-33)36-18-13-19-37(30-36)50-39-21-8-11-24-43(39)53-51(54-50)35-16-5-2-6-17-35/h2*1-35H;1-31H.

What are the key properties of 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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?

14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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 2257.68 g/mol, XLogP of 44.03, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-2-[4-[3-[2-(4-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;14-phenyl-2-[4-[4-[2-(4-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;14-phenyl-2-[4-[3-(2-phenylquinazolin-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 159236569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).