10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C46H28N4 — CID 149382525

About 10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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 149382525) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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: 149382525
• Molecular Formula: C46H28N4
• Molecular Weight: 636.76 g/mol
• Exact Mass: 636.23
• IUPAC Name: 10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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(-c3cccnc3)cc(-c3ccc4c(c3)-c3cccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c3C4)n2)cc1
• InChI: InChI=1S/C46H28N4/c1-2-10-28(11-3-1)46-48-41(26-42(49-46)31-12-9-21-47-27-31)30-20-19-29-22-38-33(15-8-16-34(38)37(29)23-30)32-24-39-35-13-4-6-17-43(35)50-44-18-7-5-14-36(44)40(25-32)45(39)50/h1-21,23-27H,22H2
• InChIKey: YLYAYGWRIBWUJM-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.76
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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 149382525) is 10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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(-c3cccnc3)cc(-c3ccc4c(c3)-c3cccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c3C4)n2)cc1.

What is the InChIKey of 10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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 YLYAYGWRIBWUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-2-10-28(11-3-1)46-48-41(26-42(49-46)31-12-9-21-47-27-31)30-20-19-29-22-38-33(15-8-16-34(38)37(29)23-30)32-24-39-35-13-4-6-17-43(35)50-44-18-7-5-14-36(44)40(25-32)45(39)50/h1-21,23-27H,22H2.

What are the key properties of 10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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 636.76 g/mol, XLogP of 11.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)-9H-fluoren-1-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 149382525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).