25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene

C36H22N4 — CID 90432127

About 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene

25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene (PubChem CID 90432127) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene.

Molecular Properties

• Compound Name: 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
• PubChem CID: 90432127
• Molecular Formula: C36H22N4
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.18
• IUPAC Name: 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7cc6c5ccc43)n2)nc1
• InChI: InChI=1S/C36H22N4/c1-4-15-29-23(10-1)22-33-26-19-20-32-36(35(26)24-11-2-5-16-30(24)39(29)33)25-12-3-6-17-31(25)40(32)34-18-9-14-28(38-34)27-13-7-8-21-37-27/h1-22H
• InChIKey: QOMPHLVMBGXMSD-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?

The IUPAC name of 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene (CID 90432127) is 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene.

What is the SMILES notation for 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?

The canonical SMILES for 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene is c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7cc6c5ccc43)n2)nc1.

What is the InChIKey of 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?

The InChIKey is QOMPHLVMBGXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-4-15-29-23(10-1)22-33-26-19-20-32-36(35(26)24-11-2-5-16-30(24)39(29)33)25-12-3-6-17-31(25)40(32)34-18-9-14-28(38-34)27-13-7-8-21-37-27/h1-22H.

What are the key properties of 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene?

25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene has a molecular weight of 510.60 g/mol, XLogP of 8.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene is sourced from PubChem (CID 90432127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).