10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene

C30H22N2 — CID 170234192

About 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene

10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene (PubChem CID 170234192) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene.

Molecular Properties

• Compound Name: 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene
• PubChem CID: 170234192
• Molecular Formula: C30H22N2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.18
• IUPAC Name: 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene
• SMILES: c1ccc2cc3c(cc2c1)c1nccc2c(C4CCCC4)cc4c5ccccc5n3c4c21
• InChI: InChI=1S/C30H22N2/c1-2-8-18(7-1)23-17-24-21-11-5-6-12-26(21)32-27-16-20-10-4-3-9-19(20)15-25(27)29-28(30(24)32)22(23)13-14-31-29/h3-6,9-18H,1-2,7-8H2
• InChIKey: UJCNIWSNWROGQN-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'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-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene?

The IUPAC name of 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene (CID 170234192) is 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene.

What is the SMILES notation for 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene?

The canonical SMILES for 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene is c1ccc2cc3c(cc2c1)c1nccc2c(C4CCCC4)cc4c5ccccc5n3c4c21.

What is the InChIKey of 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene?

The InChIKey is UJCNIWSNWROGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-2-8-18(7-1)23-17-24-21-11-5-6-12-26(21)32-27-16-20-10-4-3-9-19(20)15-25(27)29-28(30(24)32)22(23)13-14-31-29/h3-6,9-18H,1-2,7-8H2.

What are the key properties of 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene?

10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene has a molecular weight of 410.52 g/mol, XLogP of 8.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-cyclopentyl-1,14-diazaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene is sourced from PubChem (CID 170234192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).