25-(6-pyridin-2-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[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

C35H21N5 — CID 90432559

About 25-(6-pyridin-2-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[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)-3,10,25-triazaheptacyclo[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 90432559) has the molecular formula C35H21N5 and a molecular weight of 511.59 g/mol. Its IUPAC name is 25-(6-pyridin-2-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[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)-3,10,25-triazaheptacyclo[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: 90432559
• Molecular Formula: C35H21N5
• Molecular Weight: 511.59 g/mol
• Exact Mass: 511.18
• IUPAC Name: 25-(6-pyridin-2-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[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(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7nc6c5ccc43)n2)nc1
• InChI: InChI=1S/C35H21N5/c1-5-16-29-22(10-1)33-24(35-38-27-13-3-6-17-30(27)40(29)35)19-20-31-34(33)23-11-2-4-15-28(23)39(31)32-18-9-14-26(37-32)25-12-7-8-21-36-25/h1-21H
• InChIKey: CIQRDBUBLRMQKP-UHFFFAOYSA-N
• XLogP: 8.35
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.59
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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)-3,10,25-triazaheptacyclo[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)-3,10,25-triazaheptacyclo[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 90432559) is 25-(6-pyridin-2-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[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)-3,10,25-triazaheptacyclo[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)-3,10,25-triazaheptacyclo[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(-n3c4ccccc4c4c5c6ccccc6n6c7ccccc7nc6c5ccc43)n2)nc1.

What is the InChIKey of 25-(6-pyridin-2-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[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 CIQRDBUBLRMQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5/c1-5-16-29-22(10-1)33-24(35-38-27-13-3-6-17-30(27)40(29)35)19-20-31-34(33)23-11-2-4-15-28(23)39(31)32-18-9-14-26(37-32)25-12-7-8-21-36-25/h1-21H.

What are the key properties of 25-(6-pyridin-2-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[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)-3,10,25-triazaheptacyclo[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 511.59 g/mol, XLogP of 8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(6-pyridin-2-yl-2-pyridinyl)-3,10,25-triazaheptacyclo[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 90432559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).