10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile

C199H100N22 — CID 160978708

About 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile

10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile (PubChem CID 160978708) has the molecular formula C199H100N22 and a molecular weight of 2799.14 g/mol. Its IUPAC name is 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile.

Molecular Properties

• Compound Name: 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile
• PubChem CID: 160978708
• Molecular Formula: C199H100N22
• Molecular Weight: 2799.14 g/mol
• Exact Mass: 2796.85
• IUPAC Name: 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile
• SMILES: [C-]#[N+]c1c([N+]#[C-])c(C#N)c2c(c1[N+]#[C-])c1ccc3ccccc3c1c1c3ccccc3cn21.[C-]#[N+]c1c([N+]#[C-])c([N+]#[C-])c2cc3c4ccc5ccccc5c4c4c5ccccc5cn4c3cc2c1C#N.[C-]#[N+]c1cc2c(c([N+]#[C-])c1[N+]#[C-])c1ccc3ccccc3c1c1c3ccccc3cn21.[C-]#[N+]c1nc2c3ccc4ccccc4c3c3c4ccccc4cn3c2nc1[N+]#[C-].c1ccc2c(c1)ccc1c2c2c3ccccc3cn2c2c3ccccc3c3ccccc3c12.c1ccc2c(c1)ccc1c2c2ccc3ccccc3c2c2c3ccccc3cn12.c1ccc2c(c1)ccc1c3ccc4ccccc4c3n3cc4ccccc4c3c21
• InChI: InChI=1S/C32H13N5.C32H19N.C28H11N5.2C28H17N.C27H12N4.C24H11N5/c1-34-29-25-14-24-22-13-12-18-8-4-6-10-20(18)28(22)32-21-11-7-5-9-19(21)17-37(32)27(24)15-23(25)26(16-33)30(35-2)31(29)36-3;1-3-11-22-20(9-1)17-18-28-29(22)31-23-12-4-2-10-21(23)19-33(31)32-27-16-8-6-14-25(27)24-13-5-7-15-26(24)30(28)32;1-30-24-21(14-29)28-23(25(31-2)26(24)32-3)20-13-12-16-8-4-6-10-18(16)22(20)27-19-11-7-5-9-17(19)15-33(27)28;1-4-10-21-19(8-1)14-16-25-26(21)24-15-13-18-7-2-5-11-22(18)27(24)28-23-12-6-3-9-20(23)17-29(25)28;1-4-10-21-18(7-1)13-15-24-25-16-14-19-8-2-5-11-22(19)27(25)29-17-20-9-3-6-12-23(20)28(29)26(21)24;1-28-21-14-22-24(26(30-3)25(21)29-2)20-13-12-16-8-4-6-10-18(16)23(20)27-19-11-7-5-9-17(19)15-31(22)27;1-25-22-23(26-2)28-24-20(27-22)18-12-11-14-7-3-5-9-16(14)19(18)21-17-10-6-4-8-15(17)13-29(21)24/h4-15,17H;1-19H;4-13,15H;2*1-17H;4-15H;3-13H
• InChIKey: SZFLWZGAPDURQR-UHFFFAOYSA-N
• XLogP: 56.22
• TPSA: 152.19 Ų
• H-Bond Acceptors: 11
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2799.14
LogP ≤ 5	56.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile?

The IUPAC name of 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile (CID 160978708) is 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile.

What is the SMILES notation for 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile?

The canonical SMILES for 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile is [C-]#[N+]c1c([N+]#[C-])c(C#N)c2c(c1[N+]#[C-])c1ccc3ccccc3c1c1c3ccccc3cn21.[C-]#[N+]c1c([N+]#[C-])c([N+]#[C-])c2cc3c4ccc5ccccc5c4c4c5ccccc5cn4c3cc2c1C#N.[C-]#[N+]c1cc2c(c([N+]#[C-])c1[N+]#[C-])c1ccc3ccccc3c1c1c3ccccc3cn21.[C-]#[N+]c1nc2c3ccc4ccccc4c3c3c4ccccc4cn3c2nc1[N+]#[C-].c1ccc2c(c1)ccc1c2c2c3ccccc3cn2c2c3ccccc3c3ccccc3c12.c1ccc2c(c1)ccc1c2c2ccc3ccccc3c2c2c3ccccc3cn12.c1ccc2c(c1)ccc1c3ccc4ccccc4c3n3cc4ccccc4c3c21.

What is the InChIKey of 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile?

The InChIKey is SZFLWZGAPDURQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H13N5.C32H19N.C28H11N5.2C28H17N.C27H12N4.C24H11N5/c1-34-29-25-14-24-22-13-12-18-8-4-6-10-20(18)28(22)32-21-11-7-5-9-19(21)17-37(32)27(24)15-23(25)26(16-33)30(35-2)31(29)36-3;1-3-11-22-20(9-1)17-18-28-29(22)31-23-12-4-2-10-21(23)19-33(31)32-27-16-8-6-14-25(27)24-13-5-7-15-26(24)30(28)32;1-30-24-21(14-29)28-23(25(31-2)26(24)32-3)20-13-12-16-8-4-6-10-18(16)22(20)27-19-11-7-5-9-17(19)15-33(27)28;1-4-10-21-19(8-1)14-16-25-26(21)24-15-13-18-7-2-5-11-22(18)27(24)28-23-12-6-3-9-20(23)17-29(25)28;1-4-10-21-18(7-1)13-15-24-25-16-14-19-8-2-5-11-22(19)27(25)29-17-20-9-3-6-12-23(20)28(29)26(21)24;1-28-21-14-22-24(26(30-3)25(21)29-2)20-13-12-16-8-4-6-10-18(16)23(20)27-19-11-7-5-9-17(19)15-31(22)27;1-25-22-23(26-2)28-24-20(27-22)18-12-11-14-7-3-5-9-16(14)19(18)21-17-10-6-4-8-15(17)13-29(21)24/h4-15,17H;1-19H;4-13,15H;2*1-17H;4-15H;3-13H.

What are the key properties of 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile?

10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile has a molecular weight of 2799.14 g/mol, XLogP of 56.22, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.024,29]nonacosa-1(21),2,4,6,8,11(20),12,14,16,18,22,24,26,28-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.012,17.022,27.028,33]tritriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,30,32-hexadecaene;13,14-diisocyano-10,12,15-triazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.024,29]nonacosa-1(21),2,4,6,8,11,13(18),14,16,19,22,24,26,28-tetradecaene-14-carbonitrile;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13,14,15-triisocyano-10-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene-12-carbonitrile is sourced from PubChem (CID 160978708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).