2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene

C221H122N28O — CID 157404984

About 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene

2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene (PubChem CID 157404984) has the molecular formula C221H122N28O and a molecular weight of 3185.60 g/mol. Its IUPAC name is 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene.

Molecular Properties

• Compound Name: 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
• PubChem CID: 157404984
• Molecular Formula: C221H122N28O
• Molecular Weight: 3185.60 g/mol
• Exact Mass: 3183.04
• IUPAC Name: 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
• SMILES: CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)nc3cccc1c23.Cc1cccc2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)ncc12.O=C1c2ccccc2-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)nc3cccc1c23.[C-]#[N+]c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)nc3cccnc23)cc1.[C-]#[N+]c1nc(-n2c3ccccc3c3cc4c5ccccc5n5c6ccccc6c(c32)c45)nc2cccnc12.c1ccc2c(c1)-c1cccc3nc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)nc-2c13
• InChI: InChI=1S/C41H26N4.C39H20N4O.C38H20N6.C38H20N4.C33H20N4.C32H16N6/c1-41(2)29-16-7-3-14-25(29)37-36-30(41)17-11-18-31(36)42-40(43-37)45-33-20-9-5-13-24(33)28-22-27-23-12-4-8-19-32(23)44-34-21-10-6-15-26(34)35(38(27)44)39(28)45;44-38-24-13-2-1-12-23(24)35-33-26(38)15-9-16-29(33)40-39(41-35)43-31-18-7-4-11-22(31)28-20-27-21-10-3-6-17-30(21)42-32-19-8-5-14-25(32)34(36(27)42)37(28)43;1-39-23-18-16-22(17-19-23)34-35-29(12-8-20-40-35)41-38(42-34)44-31-14-6-3-10-25(31)28-21-27-24-9-2-5-13-30(24)43-32-15-7-4-11-26(32)33(36(27)43)37(28)44;1-2-13-25-21(10-1)24-15-9-16-29-33(24)35(25)40-38(39-29)42-31-18-7-4-12-23(31)28-20-27-22-11-3-6-17-30(22)41-32-19-8-5-14-26(32)34(36(27)41)37(28)42;1-19-9-8-13-26-25(19)18-34-33(35-26)37-28-15-6-3-11-21(28)24-17-23-20-10-2-5-14-27(20)36-29-16-7-4-12-22(29)30(31(23)36)32(24)37;1-33-31-28-23(12-8-16-34-28)35-32(36-31)38-25-14-6-3-10-19(25)22-17-21-18-9-2-5-13-24(18)37-26-15-7-4-11-20(26)27(29(21)37)30(22)38/h3-22H,1-2H3;1-20H;2-21H;1-20H;2-18H,1H3;2-17H
• InChIKey: BNPRBIYLVFETOJ-UHFFFAOYSA-N
• XLogP: 54.29
• TPSA: 262.29 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 7
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3185.60
LogP ≤ 5	54.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?

The IUPAC name of 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene (CID 157404984) is 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene.

What is the SMILES notation for 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?

The canonical SMILES for 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene is CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)nc3cccc1c23.Cc1cccc2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)ncc12.O=C1c2ccccc2-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)nc3cccc1c23.[C-]#[N+]c1ccc(-c2nc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)nc3cccnc23)cc1.[C-]#[N+]c1nc(-n2c3ccccc3c3cc4c5ccccc5n5c6ccccc6c(c32)c45)nc2cccnc12.c1ccc2c(c1)-c1cccc3nc(-n4c5ccccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)nc-2c13.

What is the InChIKey of 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?

The InChIKey is BNPRBIYLVFETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4.C39H20N4O.C38H20N6.C38H20N4.C33H20N4.C32H16N6/c1-41(2)29-16-7-3-14-25(29)37-36-30(41)17-11-18-31(36)42-40(43-37)45-33-20-9-5-13-24(33)28-22-27-23-12-4-8-19-32(23)44-34-21-10-6-15-26(34)35(38(27)44)39(28)45;44-38-24-13-2-1-12-23(24)35-33-26(38)15-9-16-29(33)40-39(41-35)43-31-18-7-4-11-22(31)28-20-27-21-10-3-6-17-30(21)42-32-19-8-5-14-25(32)34(36(27)42)37(28)43;1-39-23-18-16-22(17-19-23)34-35-29(12-8-20-40-35)41-38(42-34)44-31-14-6-3-10-25(31)28-21-27-24-9-2-5-13-30(24)43-32-15-7-4-11-26(32)33(36(27)43)37(28)44;1-2-13-25-21(10-1)24-15-9-16-29-33(24)35(25)40-38(39-29)42-31-18-7-4-12-23(31)28-20-27-22-11-3-6-17-30(22)41-32-19-8-5-14-26(32)34(36(27)41)37(28)42;1-19-9-8-13-26-25(19)18-34-33(35-26)37-28-15-6-3-11-21(28)24-17-23-20-10-2-5-14-27(20)36-29-16-7-4-12-22(29)30(31(23)36)32(24)37;1-33-31-28-23(12-8-16-34-28)35-32(36-31)38-25-14-6-3-10-19(25)22-17-21-18-9-2-5-13-24(18)37-26-15-7-4-11-20(26)27(29(21)37)30(22)38/h3-22H,1-2H3;1-20H;2-21H;1-20H;2-18H,1H3;2-17H.

What are the key properties of 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?

2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene has a molecular weight of 3185.60 g/mol, XLogP of 54.29, 7 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)benzo[e]perimidin-7-one;17-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(7,7-dimethylbenzo[e]perimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-[4-(4-isocyanophenyl)pyrido[3,2-d]pyrimidin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene;17-(5-methylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene is sourced from PubChem (CID 157404984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).