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

C30H20N2 — CID 121286296

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

10-(2-methyl-4-pyridin-4-ylphenyl)-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 121286296) has the molecular formula C30H20N2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 10-(2-methyl-4-pyridin-4-ylphenyl)-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-(2-methyl-4-pyridin-4-ylphenyl)-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: 121286296
• Molecular Formula: C30H20N2
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.16
• IUPAC Name: 10-(2-methyl-4-pyridin-4-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: Cc1cc(-c2ccncc2)ccc1-c1cc2c3ccccc3n3c4ccccc4c(c1)c23
• InChI: InChI=1S/C30H20N2/c1-19-16-21(20-12-14-31-15-13-20)10-11-23(19)22-17-26-24-6-2-4-8-28(24)32-29-9-5-3-7-25(29)27(18-22)30(26)32/h2-18H,1H3
• InChIKey: HPOUIMPZCBLEBB-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10-(2-methyl-4-pyridin-4-ylphenyl)-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-(2-methyl-4-pyridin-4-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 121286296) is 10-(2-methyl-4-pyridin-4-ylphenyl)-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-(2-methyl-4-pyridin-4-ylphenyl)-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-(2-methyl-4-pyridin-4-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is Cc1cc(-c2ccncc2)ccc1-c1cc2c3ccccc3n3c4ccccc4c(c1)c23.

What is the InChIKey of 10-(2-methyl-4-pyridin-4-ylphenyl)-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 HPOUIMPZCBLEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2/c1-19-16-21(20-12-14-31-15-13-20)10-11-23(19)22-17-26-24-6-2-4-8-28(24)32-29-9-5-3-7-25(29)27(18-22)30(26)32/h2-18H,1H3.

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

10-(2-methyl-4-pyridin-4-ylphenyl)-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 408.50 g/mol, XLogP of 7.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(2-methyl-4-pyridin-4-ylphenyl)-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 121286296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).