14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C356H212N24O8 — CID 157086605

About 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 157086605) has the molecular formula C356H212N24O8 and a molecular weight of 4953.77 g/mol. Its IUPAC name is 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• PubChem CID: 157086605
• Molecular Formula: C356H212N24O8
• Molecular Weight: 4953.77 g/mol
• Exact Mass: 4949.69
• IUPAC Name: 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• SMILES: c1cc(-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6nc7ccccc7c7c6ccc6c8ccccc8oc67)c5)cc4)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)c4ccccc4n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc(-c6nc7ccccc7c7c6ccc6c8ccccc8oc67)c5)cc4)c4ccccc4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)c4ccccc4n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)c3ccccc3n2)cc1
• InChI: InChI=1S/2C51H31N3O.3C45H27N3O.C43H25N3O.C39H23N3O.C37H21N3O/c1-2-12-32(13-3-1)36-15-11-17-38(31-36)51-53-45-22-8-5-20-42(45)48(54-51)34-26-24-33(25-27-34)35-14-10-16-37(30-35)49-43-29-28-40-39-18-6-9-23-46(39)55-50(40)47(43)41-19-4-7-21-44(41)52-49;1-2-11-32(12-3-1)33-23-27-36(28-24-33)51-53-45-19-8-5-17-42(45)48(54-51)35-25-21-34(22-26-35)37-13-10-14-38(31-37)49-43-30-29-40-39-15-6-9-20-46(39)55-50(40)47(43)41-16-4-7-18-44(41)52-49;1-2-12-28(13-3-1)29-14-10-17-32(26-29)45-47-39-22-8-5-20-36(39)42(48-45)30-15-11-16-31(27-30)43-37-25-24-34-33-18-6-9-23-40(33)49-44(34)41(37)35-19-4-7-21-38(35)46-43;1-2-11-30(12-3-1)45-47-39-19-8-5-17-36(39)42(48-45)29-23-21-28(22-24-29)31-13-10-14-32(27-31)43-37-26-25-34-33-15-6-9-20-40(33)49-44(34)41(37)35-16-4-7-18-38(35)46-43;1-2-11-28(12-3-1)29-21-23-30(24-22-29)45-47-39-19-8-5-17-36(39)42(48-45)31-13-10-14-32(27-31)43-37-26-25-34-33-15-6-9-20-40(33)49-44(34)41(37)35-16-4-7-18-38(35)46-43;1-3-12-37-34(11-1)39-35(22-21-33-32-10-2-4-13-38(32)47-43(33)39)40(46-37)31-8-5-7-30(25-31)26-14-16-27(17-15-26)36-23-20-29-19-18-28-9-6-24-44-41(28)42(29)45-36;1-2-11-24(12-3-1)39-41-33-19-8-5-17-30(33)36(42-39)25-13-10-14-26(23-25)37-31-22-21-28-27-15-6-9-20-34(27)43-38(28)35(31)29-16-4-7-18-32(29)40-37;1-3-12-31-28(11-1)33-29(18-17-27-26-10-2-4-13-32(26)41-37(27)33)34(40-31)25-8-5-7-24(21-25)30-19-16-23-15-14-22-9-6-20-38-35(22)36(23)39-30/h2*1-31H;3*1-27H;1-25H;1-23H;1-21H
• InChIKey: AEDVDOKQHRAMSW-UHFFFAOYSA-N
• XLogP: 94.16
• TPSA: 414.48 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 388
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4953.77
LogP ≤ 5	94.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The IUPAC name of 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 157086605) is 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The canonical SMILES for 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1cc(-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2nc3ccccc3c3c2ccc2c4ccccc4oc23)c1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6nc7ccccc7c7c6ccc6c8ccccc8oc67)c5)cc4)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)c4ccccc4n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc(-c6nc7ccccc7c7c6ccc6c8ccccc8oc67)c5)cc4)c4ccccc4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)c4ccccc4n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)c3ccccc3n2)cc1.

What is the InChIKey of 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The InChIKey is AEDVDOKQHRAMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H31N3O.3C45H27N3O.C43H25N3O.C39H23N3O.C37H21N3O/c1-2-12-32(13-3-1)36-15-11-17-38(31-36)51-53-45-22-8-5-20-42(45)48(54-51)34-26-24-33(25-27-34)35-14-10-16-37(30-35)49-43-29-28-40-39-18-6-9-23-46(39)55-50(40)47(43)41-19-4-7-21-44(41)52-49;1-2-11-32(12-3-1)33-23-27-36(28-24-33)51-53-45-19-8-5-17-42(45)48(54-51)35-25-21-34(22-26-35)37-13-10-14-38(31-37)49-43-30-29-40-39-15-6-9-20-46(39)55-50(40)47(43)41-16-4-7-18-44(41)52-49;1-2-12-28(13-3-1)29-14-10-17-32(26-29)45-47-39-22-8-5-20-36(39)42(48-45)30-15-11-16-31(27-30)43-37-25-24-34-33-18-6-9-23-40(33)49-44(34)41(37)35-19-4-7-21-38(35)46-43;1-2-11-30(12-3-1)45-47-39-19-8-5-17-36(39)42(48-45)29-23-21-28(22-24-29)31-13-10-14-32(27-31)43-37-26-25-34-33-15-6-9-20-40(33)49-44(34)41(37)35-16-4-7-18-38(35)46-43;1-2-11-28(12-3-1)29-21-23-30(24-22-29)45-47-39-19-8-5-17-36(39)42(48-45)31-13-10-14-32(27-31)43-37-26-25-34-33-15-6-9-20-40(33)49-44(34)41(37)35-16-4-7-18-38(35)46-43;1-3-12-37-34(11-1)39-35(22-21-33-32-10-2-4-13-38(32)47-43(33)39)40(46-37)31-8-5-7-30(25-31)26-14-16-27(17-15-26)36-23-20-29-19-18-28-9-6-24-44-41(28)42(29)45-36;1-2-11-24(12-3-1)39-41-33-19-8-5-17-30(33)36(42-39)25-13-10-14-26(23-25)37-31-22-21-28-27-15-6-9-20-34(27)43-38(28)35(31)29-16-4-7-18-32(29)40-37;1-3-12-31-28(11-1)33-29(18-17-27-26-10-2-4-13-32(26)41-37(27)33)34(40-31)25-8-5-7-24(21-25)30-19-16-23-15-14-22-9-6-20-38-35(22)36(23)39-30/h2*1-31H;3*1-27H;1-25H;1-23H;1-21H.

What are the key properties of 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 4953.77 g/mol, XLogP of 94.16, 30 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 157086605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).