10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile

C120H66N8 — CID 159003366

About 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile

10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile (PubChem CID 159003366) has the molecular formula C120H66N8 and a molecular weight of 1619.90 g/mol. Its IUPAC name is 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile.

Molecular Properties

• Compound Name: 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile
• PubChem CID: 159003366
• Molecular Formula: C120H66N8
• Molecular Weight: 1619.90 g/mol
• Exact Mass: 1618.54
• IUPAC Name: 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile
• SMILES: [C-]#[N+]c1c([N+]#[C-])c([N+]#[C-])c2cc3c4cc5ccccc5cc4c4c5ccccc5cn4c3cc2c1C#N.c1ccc2cc3c(cc2c1)c1c2ccccc2c2ccccc2c1n1cc2ccccc2c31.c1ccc2cc3c(cc2c1)c1c2ccccc2ccc1n1cc2ccccc2c31.c1ccc2cc3c(cc2c1)c1ccc2ccccc2c1n1cc2ccccc2c31
• InChI: InChI=1S/C32H13N5.C32H19N.2C28H17N/c1-34-29-25-14-24-22-12-18-8-4-5-9-19(18)13-26(22)32-21-11-7-6-10-20(21)17-37(32)28(24)15-23(25)27(16-33)30(35-2)31(29)36-3;1-2-10-21-18-29-28(17-20(21)9-1)30-26-15-7-5-13-24(26)25-14-6-8-16-27(25)32(30)33-19-22-11-3-4-12-23(22)31(29)33;1-2-9-20-16-25-24(15-19(20)8-1)27-22-11-5-3-7-18(22)13-14-26(27)29-17-21-10-4-6-12-23(21)28(25)29;1-2-9-20-16-26-25(15-19(20)8-1)24-14-13-18-7-3-5-11-22(18)27(24)29-17-21-10-4-6-12-23(21)28(26)29/h4-15,17H;1-19H;2*1-17H
• InChIKey: JRPRDQYAYSATEH-UHFFFAOYSA-N
• XLogP: 33.50
• TPSA: 54.51 Ų
• H-Bond Acceptors: 5
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1619.90
LogP ≤ 5	33.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile?

The IUPAC name of 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile (CID 159003366) is 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile.

What is the SMILES notation for 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile?

The canonical SMILES for 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile is [C-]#[N+]c1c([N+]#[C-])c([N+]#[C-])c2cc3c4cc5ccccc5cc4c4c5ccccc5cn4c3cc2c1C#N.c1ccc2cc3c(cc2c1)c1c2ccccc2c2ccccc2c1n1cc2ccccc2c31.c1ccc2cc3c(cc2c1)c1c2ccccc2ccc1n1cc2ccccc2c31.c1ccc2cc3c(cc2c1)c1ccc2ccccc2c1n1cc2ccccc2c31.

What is the InChIKey of 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile?

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

What are the key properties of 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile?

10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile has a molecular weight of 1619.90 g/mol, XLogP of 33.50, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-azaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;10-azaheptacyclo[19.8.0.02,10.03,8.011,20.014,19.023,28]nonacosa-1(29),2,4,6,8,11(20),12,14,16,18,21,23,25,27-tetradecaene;2-azaoctacyclo[19.12.0.02,10.04,9.011,20.013,18.022,27.028,33]tritriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,30,32-hexadecaene;15,16,17-triisocyano-10-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1(29),2,4,6,8,11,13(18),14,16,19,21,23,25,27-tetradecaene-14-carbonitrile is sourced from PubChem (CID 159003366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).