25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene

C32H20N2 — CID 140956674

About 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene

25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene (PubChem CID 140956674) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene.

Molecular Properties

• Compound Name: 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene
• PubChem CID: 140956674
• Molecular Formula: C32H20N2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.16
• IUPAC Name: 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene
• SMILES: c1ccc(-n2c3ccccc3c3c4c5ccccc5c5c6ccccc6cn5c4ccc32)cc1
• InChI: InChI=1S/C32H20N2/c1-2-11-22(12-3-1)34-27-17-9-8-16-26(27)31-29(34)19-18-28-30(31)24-14-6-7-15-25(24)32-23-13-5-4-10-21(23)20-33(28)32/h1-20H
• InChIKey: FNNQKSRFKTYWQN-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 9.34 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene?

The IUPAC name of 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene (CID 140956674) is 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene.

What is the SMILES notation for 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene?

The canonical SMILES for 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene is c1ccc(-n2c3ccccc3c3c4c5ccccc5c5c6ccccc6cn5c4ccc32)cc1.

What is the InChIKey of 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene?

The InChIKey is FNNQKSRFKTYWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-2-11-22(12-3-1)34-27-17-9-8-16-26(27)31-29(34)19-18-28-30(31)24-14-6-7-15-25(24)32-23-13-5-4-10-21(23)20-33(28)32/h1-20H.

What are the key properties of 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene?

25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene has a molecular weight of 432.53 g/mol, XLogP of 8.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 25-phenyl-2,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene is sourced from PubChem (CID 140956674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).