3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene

C261H140N26 — CID 160829568

About 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene

3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene (PubChem CID 160829568) has the molecular formula C261H140N26 and a molecular weight of 3640.17 g/mol. Its IUPAC name is 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene
• PubChem CID: 160829568
• Molecular Formula: C261H140N26
• Molecular Weight: 3640.17 g/mol
• Exact Mass: 3637.18
• IUPAC Name: 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene
• SMILES: [C-]#[N+]c1nc(-n2c3ccccc3c3cc4c5ccccc5n5c6cc7ccccc7cc6c(c32)c45)c2ccccc2n1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7cc8ccccc8cc7c(c43)c56)c3ccccc3n2)cc1.c1ccc2cc3c(cc2c1)c1c2c(cc4c5ccccc5n3c41)c1ccccc1n2-c1ccc2c3c(cccc13)-c1nc3ccccc3nc1-2.c1ccc2cc3c(cc2c1)c1c2c(cc4c5ccccc5n3c41)c1ccccc1n2-c1ccc2c3c(cccc13)-c1nccnc1-2.c1ccc2cc3c(cc2c1)c1c2c(cc4c5ccccc5n3c41)c1ccccc1n2-c1cnc2c(n1)-c1cccc3cccc-2c13.c1ccc2cc3c(cc2c1)c1c2c(cc4c5ccccc5n3c41)c1ccccc1n2-c1nc(-n2c3ccccc3c3c4ccccc4ccc32)nc2ccccc12
• InChI: InChI=1S/C52H29N5.C46H24N4.2C42H22N4.C42H24N4.C37H19N5/c1-2-15-32-28-46-40(27-31(32)14-1)48-49-38(34-17-6-10-22-42(34)55(46)49)29-39-35-18-7-11-23-43(35)57(50(39)48)51-36-19-5-9-21-41(36)53-52(54-51)56-44-24-12-8-20-37(44)47-33-16-4-3-13-30(33)25-26-45(47)56;1-2-11-26-23-40-34(22-25(26)10-1)42-45-32(24-33-28-13-4-8-19-38(28)50(40)46(33)42)27-12-3-7-18-37(27)49(45)39-21-20-31-41-29(39)14-9-15-30(41)43-44(31)48-36-17-6-5-16-35(36)47-43;1-2-10-25-20-35-32(19-24(25)9-1)38-41-30(26-13-3-5-17-33(26)45(35)41)21-31-27-14-4-6-18-34(27)46(42(31)38)36-22-43-39-28-15-7-11-23-12-8-16-29(37(23)28)40(39)44-36;1-2-9-24-21-36-32(20-23(24)8-1)38-41-30(22-31-26-11-4-6-15-34(26)46(36)42(31)38)25-10-3-5-14-33(25)45(41)35-17-16-29-37-27(35)12-7-13-28(37)39-40(29)44-19-18-43-39;1-2-12-25(13-3-1)41-43-34-19-9-6-18-30(34)42(44-41)46-36-21-11-8-17-29(36)32-24-31-28-16-7-10-20-35(28)45-37-23-27-15-5-4-14-26(27)22-33(37)38(39(31)45)40(32)46;1-38-37-39-29-15-7-4-14-25(29)36(40-37)42-31-17-9-6-13-24(31)27-20-26-23-12-5-8-16-30(23)41-32-19-22-11-3-2-10-21(22)18-28(32)33(34(26)41)35(27)42/h1-29H;1-24H;2*1-22H;1-24H;2-20H
• InChIKey: SGPSOVOVOCVQTA-UHFFFAOYSA-N
• XLogP: 66.74
• TPSA: 220.01 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 287
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3640.17
LogP ≤ 5	66.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene?

The IUPAC name of 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene (CID 160829568) is 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene.

What is the SMILES notation for 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene?

The canonical SMILES for 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene is [C-]#[N+]c1nc(-n2c3ccccc3c3cc4c5ccccc5n5c6cc7ccccc7cc6c(c32)c45)c2ccccc2n1.c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7cc8ccccc8cc7c(c43)c56)c3ccccc3n2)cc1.c1ccc2cc3c(cc2c1)c1c2c(cc4c5ccccc5n3c41)c1ccccc1n2-c1ccc2c3c(cccc13)-c1nc3ccccc3nc1-2.c1ccc2cc3c(cc2c1)c1c2c(cc4c5ccccc5n3c41)c1ccccc1n2-c1ccc2c3c(cccc13)-c1nccnc1-2.c1ccc2cc3c(cc2c1)c1c2c(cc4c5ccccc5n3c41)c1ccccc1n2-c1cnc2c(n1)-c1cccc3cccc-2c13.c1ccc2cc3c(cc2c1)c1c2c(cc4c5ccccc5n3c41)c1ccccc1n2-c1nc(-n2c3ccccc3c3c4ccccc4ccc32)nc2ccccc12.

What is the InChIKey of 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene?

The InChIKey is SGPSOVOVOCVQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N5.C46H24N4.2C42H22N4.C42H24N4.C37H19N5/c1-2-15-32-28-46-40(27-31(32)14-1)48-49-38(34-17-6-10-22-42(34)55(46)49)29-39-35-18-7-11-23-43(35)57(50(39)48)51-36-19-5-9-21-41(36)53-52(54-51)56-44-24-12-8-20-37(44)47-33-16-4-3-13-30(33)25-26-45(47)56;1-2-11-26-23-40-34(22-25(26)10-1)42-45-32(24-33-28-13-4-8-19-38(28)50(40)46(33)42)27-12-3-7-18-37(27)49(45)39-21-20-31-41-29(39)14-9-15-30(41)43-44(31)48-36-17-6-5-16-35(36)47-43;1-2-10-25-20-35-32(19-24(25)9-1)38-41-30(26-13-3-5-17-33(26)45(35)41)21-31-27-14-4-6-18-34(27)46(42(31)38)36-22-43-39-28-15-7-11-23-12-8-16-29(37(23)28)40(39)44-36;1-2-9-24-21-36-32(20-23(24)8-1)38-41-30(22-31-26-11-4-6-15-34(26)46(36)42(31)38)25-10-3-5-14-33(25)45(41)35-17-16-29-37-27(35)12-7-13-28(37)39-40(29)44-19-18-43-39;1-2-12-25(13-3-1)41-43-34-19-9-6-18-30(34)42(44-41)46-36-21-11-8-17-29(36)32-24-31-28-16-7-10-20-35(28)45-37-23-27-15-5-4-14-26(27)22-33(37)38(39(31)45)40(32)46;1-38-37-39-29-15-7-4-14-25(29)36(40-37)42-31-17-9-6-13-24(31)27-20-26-23-12-5-8-16-30(23)41-32-19-22-11-3-2-10-21(22)18-28(32)33(34(26)41)35(27)42/h1-29H;1-24H;2*1-22H;1-24H;2-20H.

What are the key properties of 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene?

3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene has a molecular weight of 3640.17 g/mol, XLogP of 66.74, 8 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acenaphthyleno[1,2-b]quinoxalin-3-yl-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13,15,17,20,22,24,26,28-tetradecaene;3-(2-isocyanoquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene;3-(2-phenylquinazolin-4-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 160829568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).