5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene

C320H190N20 — CID 159250187

About 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene

5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene (PubChem CID 159250187) has the molecular formula C320H190N20 and a molecular weight of 4315.18 g/mol. Its IUPAC name is 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene
• PubChem CID: 159250187
• Molecular Formula: C320H190N20
• Molecular Weight: 4315.18 g/mol
• Exact Mass: 4311.55
• IUPAC Name: 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene
• SMILES: C1=c2ccccc2=CC2C1c1cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)ccc1-c1nc3ccccc3n12.c1ccc2c(c1)nc1c3ccc(-c4ccc5c(c4)c4ccccc4n4c6ccccc6nc54)cc3c3ccccc3n21.c1ccc2c(c1)nc1c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5c5nc7ccccc7n65)cc4)ccc3n21.c1ccc2c(c1)nc1c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4c4nc6ccccc6n54)ccc3n21.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)c5c7ccccc7c7ccccc7c5c5nc7ccccc7n65)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)c5cc7ccccc7cc5n5c7ccccc7nc65)ccc34)ccc2c1.c1ccc2cc3c(cc2c1)c1cc(-c2ccc4ccc5cccc6ccc2c4c56)ccc1c1nc2ccccc2n31
• InChI: InChI=1S/C61H36N2.C57H34N2.C44H26N4.C43H28N2.C39H22N2.2C38H22N4/c1-3-15-39-33-43(27-25-37(39)13-1)57-49-21-9-10-22-50(49)58(44-28-26-38-14-2-4-16-40(38)34-44)52-35-41(29-31-51(52)57)42-30-32-55-53(36-42)59-47-19-7-5-17-45(47)46-18-6-8-20-48(46)60(59)61-62-54-23-11-12-24-56(54)63(55)61;1-3-13-37-29-43(23-21-35(37)11-1)55-45-17-7-8-18-46(45)56(44-24-22-36-12-2-4-14-38(36)30-44)51-33-42(25-27-47(51)55)41-26-28-48-49(31-41)50-32-39-15-5-6-16-40(39)34-54(50)59-53-20-10-9-19-52(53)58-57(48)59;1-3-11-33-31(9-1)35-25-29(21-23-39(35)47-41-15-7-5-13-37(41)45-43(33)47)27-17-19-28(20-18-27)30-22-24-40-36(26-30)32-10-2-4-12-34(32)44-46-38-14-6-8-16-42(38)48(40)44;1-2-8-28-21-31(14-13-27(28)7-1)32-15-16-34-23-35(18-17-33(34)22-32)36-19-20-37-38(24-36)39-25-29-9-3-4-10-30(29)26-42(39)45-41-12-6-5-11-40(41)44-43(37)45;1-2-7-27-22-36-33(20-26(27)6-1)32-21-28(16-19-31(32)39-40-34-10-3-4-11-35(34)41(36)39)29-17-14-25-13-12-23-8-5-9-24-15-18-30(29)38(25)37(23)24;1-5-13-33-25(9-1)29-21-23(17-19-27(29)37-39-31-11-3-7-15-35(31)41(33)37)24-18-20-28-30(22-24)26-10-2-6-14-34(26)42-36-16-8-4-12-32(36)40-38(28)42;1-3-11-27-25(9-1)29-21-23(17-19-33(29)41-35-15-7-5-13-31(35)39-37(27)41)24-18-20-34-30(22-24)26-10-2-4-12-28(26)38-40-32-14-6-8-16-36(32)42(34)38/h1-36H;1-34H;1-26H;1-26,39,42H;1-22H;2*1-22H
• InChIKey: KVESKXORPNNWHI-UHFFFAOYSA-N
• XLogP: 82.41
• TPSA: 173.52 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 340
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4315.18
LogP ≤ 5	82.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene?

The IUPAC name of 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene (CID 159250187) is 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene.

What is the SMILES notation for 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene?

The canonical SMILES for 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene is C1=c2ccccc2=CC2C1c1cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)ccc1-c1nc3ccccc3n12.c1ccc2c(c1)nc1c3ccc(-c4ccc5c(c4)c4ccccc4n4c6ccccc6nc54)cc3c3ccccc3n21.c1ccc2c(c1)nc1c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5c5nc7ccccc7n65)cc4)ccc3n21.c1ccc2c(c1)nc1c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4c4nc6ccccc6n54)ccc3n21.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)c5c7ccccc7c7ccccc7c5c5nc7ccccc7n65)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6c(c5)c5cc7ccccc7cc5n5c7ccccc7nc65)ccc34)ccc2c1.c1ccc2cc3c(cc2c1)c1cc(-c2ccc4ccc5cccc6ccc2c4c56)ccc1c1nc2ccccc2n31.

What is the InChIKey of 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene?

The InChIKey is KVESKXORPNNWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2.C57H34N2.C44H26N4.C43H28N2.C39H22N2.2C38H22N4/c1-3-15-39-33-43(27-25-37(39)13-1)57-49-21-9-10-22-50(49)58(44-28-26-38-14-2-4-16-40(38)34-44)52-35-41(29-31-51(52)57)42-30-32-55-53(36-42)59-47-19-7-5-17-45(47)46-18-6-8-20-48(46)60(59)61-62-54-23-11-12-24-56(54)63(55)61;1-3-13-37-29-43(23-21-35(37)11-1)55-45-17-7-8-18-46(45)56(44-24-22-36-12-2-4-14-38(36)30-44)51-33-42(25-27-47(51)55)41-26-28-48-49(31-41)50-32-39-15-5-6-16-40(39)34-54(50)59-53-20-10-9-19-52(53)58-57(48)59;1-3-11-33-31(9-1)35-25-29(21-23-39(35)47-41-15-7-5-13-37(41)45-43(33)47)27-17-19-28(20-18-27)30-22-24-40-36(26-30)32-10-2-4-12-34(32)44-46-38-14-6-8-16-42(38)48(40)44;1-2-8-28-21-31(14-13-27(28)7-1)32-15-16-34-23-35(18-17-33(34)22-32)36-19-20-37-38(24-36)39-25-29-9-3-4-10-30(29)26-42(39)45-41-12-6-5-11-40(41)44-43(37)45;1-2-7-27-22-36-33(20-26(27)6-1)32-21-28(16-19-31(32)39-40-34-10-3-4-11-35(34)41(36)39)29-17-14-25-13-12-23-8-5-9-24-15-18-30(29)38(25)37(23)24;1-5-13-33-25(9-1)29-21-23(17-19-27(29)37-39-31-11-3-7-15-35(31)41(33)37)24-18-20-28-30(22-24)26-10-2-6-14-34(26)42-36-16-8-4-12-32(36)40-38(28)42;1-3-11-27-25(9-1)29-21-23(17-19-33(29)41-35-15-7-5-13-31(35)39-37(27)41)24-18-20-34-30(22-24)26-10-2-4-12-28(26)38-40-32-14-6-8-16-36(32)42(34)38/h1-36H;1-34H;1-26H;1-26,39,42H;1-22H;2*1-22H.

What are the key properties of 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene?

5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene has a molecular weight of 4315.18 g/mol, XLogP of 82.41, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;10-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,10-diazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene;14-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene;14-(6-naphthalen-2-ylnaphthalen-2-yl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-3,5,7,9,11(16),12,14,18,20,22,24-undecaene;14-pyren-1-yl-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene is sourced from PubChem (CID 159250187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).