3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine

C366H228N16O16 — CID 159347844

About 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine

3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 159347844) has the molecular formula C366H228N16O16 and a molecular weight of 5105.95 g/mol. Its IUPAC name is 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 159347844
• Molecular Formula: C366H228N16O16
• Molecular Weight: 5105.95 g/mol
• Exact Mass: 5101.75
• IUPAC Name: 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc4c5cccc(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5oc4c4c3oc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3ccc5c6cccc(-c7cccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)c7)c6oc5c34)cc21.Cc1ccc2oc3c(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)cc4c5ccccc5oc4c3c2c1.Cc1ccc2oc3c(cc(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)c4oc5ccccc5c43)c2c1.Cc1cccc2c1oc1c(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)cc3c4ccccc4oc3c12.Cc1cccc2c1oc1c2cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)c2oc3ccccc3c21.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cc3c4cccc(C5CCCCC5)c4oc3c3c2oc2ccccc23)c1.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cc3c4ccccc4oc3c3c2oc2c(C4CCCCC4)cccc23)c1
• InChI: InChI=1S/2C55H34N2O2.2C46H32N2O2.4C41H24N2O2/c1-55(2)45-23-9-7-17-37(45)38-26-25-32(28-46(38)55)43-29-44-41-22-12-21-34(52(41)59-54(44)49-42-20-8-10-24-48(42)58-53(43)49)31-13-11-14-33(27-31)47-30-56-50-39-18-5-3-15-35(39)36-16-4-6-19-40(36)51(50)57-47;1-55(2)45-23-8-7-16-38(45)39-25-24-32(29-46(39)55)35-20-11-22-44-49-48(58-53(35)44)27-26-43-42-21-10-19-34(52(42)59-54(43)49)31-12-9-13-33(28-31)47-30-56-50-40-17-5-3-14-36(40)37-15-4-6-18-41(37)51(50)57-47;1-2-12-27(13-3-1)30-21-11-22-36-41-45(50-44(30)36)37(25-38-33-18-8-9-23-40(33)49-46(38)41)28-14-10-15-29(24-28)39-26-47-42-34-19-6-4-16-31(34)32-17-5-7-20-35(32)43(42)48-39;1-2-12-27(13-3-1)30-21-11-22-35-38-25-37(45-41(46(38)50-44(30)35)36-20-8-9-23-40(36)49-45)28-14-10-15-29(24-28)39-26-47-42-33-18-6-4-16-31(33)32-17-5-7-19-34(32)43(42)48-39;1-23-10-8-18-31-36-40(45-39(23)31)32(21-33-28-15-6-7-19-35(28)44-41(33)36)24-11-9-12-25(20-24)34-22-42-37-29-16-4-2-13-26(29)27-14-3-5-17-30(27)38(37)43-34;1-23-10-8-18-30-33-21-32(40-36(41(33)45-39(23)30)31-17-6-7-19-35(31)44-40)24-11-9-12-25(20-24)34-22-42-37-28-15-4-2-13-26(28)27-14-3-5-16-29(27)38(37)43-34;1-23-17-18-36-33(19-23)37-40(45-36)31(21-32-28-13-6-7-16-35(28)44-41(32)37)24-9-8-10-25(20-24)34-22-42-38-29-14-4-2-11-26(29)27-12-3-5-15-30(27)39(38)43-34;1-23-17-18-36-32(19-23)33-21-31(40-37(41(33)45-36)30-15-6-7-16-35(30)44-40)24-9-8-10-25(20-24)34-22-42-38-28-13-4-2-11-26(28)27-12-3-5-14-29(27)39(38)43-34/h2*3-30H,1-2H3;2*4-11,14-27H,1-3,12-13H2;4*2-22H,1H3
• InChIKey: LGYKFCLZKWPFAZ-UHFFFAOYSA-N
• XLogP: 101.83
• TPSA: 416.48 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 398
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5105.95
LogP ≤ 5	101.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 159347844) is 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2ccc(-c3cc4c5cccc(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5oc4c4c3oc3ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3ccc5c6cccc(-c7cccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)c7)c6oc5c34)cc21.Cc1ccc2oc3c(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)cc4c5ccccc5oc4c3c2c1.Cc1ccc2oc3c(cc(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)c4oc5ccccc5c43)c2c1.Cc1cccc2c1oc1c(-c3cccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c3)cc3c4ccccc4oc3c12.Cc1cccc2c1oc1c2cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)c2oc3ccccc3c21.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cc3c4cccc(C5CCCCC5)c4oc3c3c2oc2ccccc23)c1.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cc3c4ccccc4oc3c3c2oc2c(C4CCCCC4)cccc23)c1.

What is the InChIKey of 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is LGYKFCLZKWPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N2O2.2C46H32N2O2.4C41H24N2O2/c1-55(2)45-23-9-7-17-37(45)38-26-25-32(28-46(38)55)43-29-44-41-22-12-21-34(52(41)59-54(44)49-42-20-8-10-24-48(42)58-53(43)49)31-13-11-14-33(27-31)47-30-56-50-39-18-5-3-15-35(39)36-16-4-6-19-40(36)51(50)57-47;1-55(2)45-23-8-7-16-38(45)39-25-24-32(29-46(39)55)35-20-11-22-44-49-48(58-53(35)44)27-26-43-42-21-10-19-34(52(42)59-54(43)49)31-12-9-13-33(28-31)47-30-56-50-40-17-5-3-14-36(40)37-15-4-6-18-41(37)51(50)57-47;1-2-12-27(13-3-1)30-21-11-22-36-41-45(50-44(30)36)37(25-38-33-18-8-9-23-40(33)49-46(38)41)28-14-10-15-29(24-28)39-26-47-42-34-19-6-4-16-31(34)32-17-5-7-20-35(32)43(42)48-39;1-2-12-27(13-3-1)30-21-11-22-35-38-25-37(45-41(46(38)50-44(30)35)36-20-8-9-23-40(36)49-45)28-14-10-15-29(24-28)39-26-47-42-33-18-6-4-16-31(33)32-17-5-7-19-34(32)43(42)48-39;1-23-10-8-18-31-36-40(45-39(23)31)32(21-33-28-15-6-7-19-35(28)44-41(33)36)24-11-9-12-25(20-24)34-22-42-37-29-16-4-2-13-26(29)27-14-3-5-17-30(27)38(37)43-34;1-23-10-8-18-30-33-21-32(40-36(41(33)45-39(23)30)31-17-6-7-19-35(31)44-40)24-11-9-12-25(20-24)34-22-42-37-28-15-4-2-13-26(28)27-14-3-5-16-29(27)38(37)43-34;1-23-17-18-36-33(19-23)37-40(45-36)31(21-32-28-13-6-7-16-35(28)44-41(32)37)24-9-8-10-25(20-24)34-22-42-38-29-14-4-2-11-26(29)27-12-3-5-15-30(27)39(38)43-34;1-23-17-18-36-32(19-23)33-21-31(40-37(41(33)45-36)30-15-6-7-16-35(30)44-40)24-9-8-10-25(20-24)34-22-42-38-28-13-4-2-11-26(28)27-12-3-5-14-29(27)39(38)43-34/h2*3-30H,1-2H3;2*4-11,14-27H,1-3,12-13H2;4*2-22H,1H3.

What are the key properties of 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine?

3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 5105.95 g/mol, XLogP of 101.83, 20 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[7-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[11-(9,9-dimethylfluoren-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-18-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(5-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(7-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(16-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14(19),15,17-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(18-methyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159347844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).