10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C45H26N4O — CID 148608191

About 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 148608191) has the molecular formula C45H26N4O and a molecular weight of 638.73 g/mol. Its IUPAC name is 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 148608191
• Molecular Formula: C45H26N4O
• Molecular Weight: 638.73 g/mol
• Exact Mass: 638.21
• IUPAC Name: 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc(-c2nc(-c3ccc4oc5c(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cccc5c4c3)cc(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C45H26N4O/c1-2-11-27(12-3-1)45-47-38(26-39(48-45)37-17-8-9-22-46-37)28-20-21-42-34(23-28)33-16-10-15-30(44(33)50-42)29-24-35-31-13-4-6-18-40(31)49-41-19-7-5-14-32(41)36(25-29)43(35)49/h1-26H
• InChIKey: NDVPXXOIBCQRJY-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 56.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.73
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 148608191) is 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc(-c2nc(-c3ccc4oc5c(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cccc5c4c3)cc(-c3ccccn3)n2)cc1.

What is the InChIKey of 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is NDVPXXOIBCQRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4O/c1-2-11-27(12-3-1)45-47-38(26-39(48-45)37-17-8-9-22-46-37)28-20-21-42-34(23-28)33-16-10-15-30(44(33)50-42)29-24-35-31-13-4-6-18-40(31)49-41-19-7-5-14-32(41)36(25-29)43(35)49/h1-26H.

What are the key properties of 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 638.73 g/mol, XLogP of 11.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[8-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)dibenzofuran-4-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 148608191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).