14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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

C314H182N22S6 — CID 165058335

About 14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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 165058335) has the molecular formula C314H182N22S6 and a molecular weight of 4455.47 g/mol. Its IUPAC name is 14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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: 165058335
• Molecular Formula: C314H182N22S6
• Molecular Weight: 4455.47 g/mol
• Exact Mass: 4451.32
• IUPAC Name: 14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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: c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8c7ccc7c9ccccc9sc78)c6)c6ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8c7ccc7c9ccccc9sc78)c6)c6ncccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(ccc7cc(-c8cccc(-c9nc%10ccccc%10c%10c9ccc9c%11ccccc%11sc9%10)c8)ccc76)c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7cccc(-c8nc9ccccc9c9c8ccc8c%10ccccc%10sc89)c7)cc6c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7cccc(-c8nc9ccccc9c9c8ccc8c%10ccccc%10sc89)c7)ccc6c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccnc(-c6cccc(-c7nc8ccccc8c8c7ccc7c9ccccc9sc78)c6)n5)nc4c3n2)cc1
• InChI: InChI=1S/C57H33N3S.2C53H31N3S.2C52H30N4S.C47H27N5S/c1-2-9-34(10-3-1)49-29-23-35-17-18-36-24-30-50(59-56(36)55(35)58-49)41-22-26-44-40(33-41)20-19-39-31-38(21-25-43(39)44)37-11-8-12-42(32-37)54-48-28-27-46-45-13-5-7-16-52(45)61-57(46)53(48)47-14-4-6-15-51(47)60-54;1-2-9-33(10-3-1)45-27-23-34-19-20-35-24-28-46(55-52(35)51(34)54-45)38-22-18-32-17-21-37(30-40(32)31-38)36-11-8-12-39(29-36)50-44-26-25-42-41-13-5-7-16-48(41)57-53(42)49(44)43-14-4-6-15-47(43)56-50;1-2-11-32(12-3-1)45-29-23-33-21-22-34-24-30-47(56-52(34)51(33)54-45)40-26-25-37(38-15-4-5-16-39(38)40)35-13-10-14-36(31-35)50-44-28-27-42-41-17-7-9-20-48(41)57-53(42)49(44)43-18-6-8-19-46(43)55-50;1-2-10-31(11-3-1)43-27-21-32-19-20-33-22-28-45(56-50(33)49(32)54-43)37-24-23-36(51-39(37)16-9-29-53-51)34-12-8-13-35(30-34)48-42-26-25-40-38-14-5-7-18-46(38)57-52(40)47(42)41-15-4-6-17-44(41)55-48;1-2-9-31(10-3-1)42-25-19-32-17-18-33-20-26-45(55-51(33)50(32)54-42)36-22-28-44-35(29-36)21-27-43(53-44)34-11-8-12-37(30-34)49-41-24-23-39-38-13-5-7-16-47(38)57-52(39)48(41)40-14-4-6-15-46(40)56-49;1-2-9-28(10-3-1)37-23-19-29-17-18-30-20-24-39(51-45(30)44(29)49-37)40-25-26-48-47(52-40)32-12-8-11-31(27-32)43-36-22-21-34-33-13-5-7-16-41(33)53-46(34)42(36)35-14-4-6-15-38(35)50-43/h1-33H;2*1-31H;2*1-30H;1-27H
• InChIKey: QUINEFGHEWUIPV-UHFFFAOYSA-N
• XLogP: 85.62
• TPSA: 283.58 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 342
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4455.47
LogP ≤ 5	85.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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 165058335) is 14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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 c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8c7ccc7c9ccccc9sc78)c6)c6ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8c7ccc7c9ccccc9sc78)c6)c6ncccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(ccc7cc(-c8cccc(-c9nc%10ccccc%10c%10c9ccc9c%11ccccc%11sc9%10)c8)ccc76)c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc(-c7cccc(-c8nc9ccccc9c9c8ccc8c%10ccccc%10sc89)c7)cc6c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7cccc(-c8nc9ccccc9c9c8ccc8c%10ccccc%10sc89)c7)ccc6c5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccnc(-c6cccc(-c7nc8ccccc8c8c7ccc7c9ccccc9sc78)c6)n5)nc4c3n2)cc1.

What is the InChIKey of 14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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 QUINEFGHEWUIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3S.2C53H31N3S.2C52H30N4S.C47H27N5S/c1-2-9-34(10-3-1)49-29-23-35-17-18-36-24-30-50(59-56(36)55(35)58-49)41-22-26-44-40(33-41)20-19-39-31-38(21-25-43(39)44)37-11-8-12-42(32-37)54-48-28-27-46-45-13-5-7-16-52(45)61-57(46)53(48)47-14-4-6-15-51(47)60-54;1-2-9-33(10-3-1)45-27-23-34-19-20-35-24-28-46(55-52(35)51(34)54-45)38-22-18-32-17-21-37(30-40(32)31-38)36-11-8-12-39(29-36)50-44-26-25-42-41-13-5-7-16-48(41)57-53(42)49(44)43-14-4-6-15-47(43)56-50;1-2-11-32(12-3-1)45-29-23-33-21-22-34-24-30-47(56-52(34)51(33)54-45)40-26-25-37(38-15-4-5-16-39(38)40)35-13-10-14-36(31-35)50-44-28-27-42-41-17-7-9-20-48(41)57-53(42)49(44)43-18-6-8-19-46(43)55-50;1-2-10-31(11-3-1)43-27-21-32-19-20-33-22-28-45(56-50(33)49(32)54-43)37-24-23-36(51-39(37)16-9-29-53-51)34-12-8-13-35(30-34)48-42-26-25-40-38-14-5-7-18-46(38)57-52(40)47(42)41-15-4-6-17-44(41)55-48;1-2-9-31(10-3-1)42-25-19-32-17-18-33-20-26-45(55-51(33)50(32)54-42)36-22-28-44-35(29-36)21-27-43(53-44)34-11-8-12-37(30-34)49-41-24-23-39-38-13-5-7-16-47(38)57-52(39)48(41)40-14-4-6-15-46(40)56-49;1-2-9-28(10-3-1)37-23-19-29-17-18-30-20-24-39(51-45(30)44(29)49-37)40-25-26-48-47(52-40)32-12-8-11-31(27-32)43-36-22-21-34-33-13-5-7-16-41(33)53-46(34)42(36)35-14-4-6-15-38(35)50-43/h1-33H;2*1-31H;2*1-30H;1-27H.

What are the key properties of 14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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 4455.47 g/mol, XLogP of 85.62, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]phenyl]-3-thia-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-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-3-thia-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-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-3-thia-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-[5-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-3-thia-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-[6-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-2-yl]phenyl]-3-thia-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 165058335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).