10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene

C41H24N6 — CID 164839395

About 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene

10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene (PubChem CID 164839395) has the molecular formula C41H24N6 and a molecular weight of 600.69 g/mol. Its IUPAC name is 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene.

Molecular Properties

• Compound Name: 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
• PubChem CID: 164839395
• Molecular Formula: C41H24N6
• Molecular Weight: 600.69 g/mol
• Exact Mass: 600.21
• IUPAC Name: 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
• SMILES: c1ccc(-c2cnc(-c3cc(-c4ccncc4)nc(-c4cc5c6cccc7cccc(c76)n6c7ccccc7c(c4)c56)n3)nc2)cc1
• InChI: InChI=1S/C41H24N6/c1-2-8-25(9-3-1)29-23-43-41(44-24-29)35-22-34(26-16-18-42-19-17-26)45-40(46-35)28-20-32-30-12-4-5-14-36(30)47-37-15-7-11-27-10-6-13-31(38(27)37)33(21-28)39(32)47/h1-24H
• InChIKey: USILCZRIGSGENC-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 68.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.69
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

The IUPAC name of 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene (CID 164839395) is 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene.

What is the SMILES notation for 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

The canonical SMILES for 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene is c1ccc(-c2cnc(-c3cc(-c4ccncc4)nc(-c4cc5c6cccc7cccc(c76)n6c7ccccc7c(c4)c56)n3)nc2)cc1.

What is the InChIKey of 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

The InChIKey is USILCZRIGSGENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6/c1-2-8-25(9-3-1)29-23-43-41(44-24-29)35-22-34(26-16-18-42-19-17-26)45-40(46-35)28-20-32-30-12-4-5-14-36(30)47-37-15-7-11-27-10-6-13-31(38(27)37)33(21-28)39(32)47/h1-24H.

What are the key properties of 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene?

10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene has a molecular weight of 600.69 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(5-phenylpyrimidin-2-yl)-6-pyridin-4-ylpyrimidin-2-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene is sourced from PubChem (CID 164839395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).