9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C141H85N11 — CID 160872155

About 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 160872155) has the molecular formula C141H85N11 and a molecular weight of 1933.31 g/mol. Its IUPAC name is 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• PubChem CID: 160872155
• Molecular Formula: C141H85N11
• Molecular Weight: 1933.31 g/mol
• Exact Mass: 1931.70
• IUPAC Name: 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc(-c2cc(-c3ccc4c5ccccc5n5c6ccccc6c3c45)c3cccnc3n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)c3)c3cccnc3n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5cccc6ncccc56)c4)cc4c5ccccc5n3c42)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5ncccc45)cc4c5ccccc5n3c42)nc1
• InChI: InChI=1S/C39H24N2.C38H23N3.2C32H19N3/c1-2-9-25(10-3-1)27-18-19-38-33(22-27)35-24-29(23-34-32-13-4-5-17-37(32)41(38)39(34)35)26-11-6-12-28(21-26)30-14-7-16-36-31(30)15-8-20-40-36;1-2-10-24(11-3-1)34-23-31(30-16-9-19-39-38(30)40-34)26-13-8-12-25(20-26)27-21-32-28-14-4-6-17-35(28)41-36-18-7-5-15-29(36)33(22-27)37(32)41;1-2-12-30-24(7-1)26-18-21(22-8-5-11-29-23(22)9-6-16-34-29)19-27-25-17-20(28-10-3-4-15-33-28)13-14-31(25)35(30)32(26)27;1-2-9-20(10-3-1)27-19-26(24-13-8-18-33-32(24)34-27)22-16-17-23-21-11-4-6-14-28(21)35-29-15-7-5-12-25(29)30(22)31(23)35/h1-24H;1-23H;2*1-19H
• InChIKey: SLWXGWGPOBDPJM-UHFFFAOYSA-N
• XLogP: 36.39
• TPSA: 107.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1933.31
LogP ≤ 5	36.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 160872155) is 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc(-c2cc(-c3ccc4c5ccccc5n5c6ccccc6c3c45)c3cccnc3n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)c3)c3cccnc3n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5cccc6ncccc56)c4)cc4c5ccccc5n3c42)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5ncccc45)cc4c5ccccc5n3c42)nc1.

What is the InChIKey of 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The InChIKey is SLWXGWGPOBDPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2.C38H23N3.2C32H19N3/c1-2-9-25(10-3-1)27-18-19-38-33(22-27)35-24-29(23-34-32-13-4-5-17-37(32)41(38)39(34)35)26-11-6-12-28(21-26)30-14-7-16-36-31(30)15-8-20-40-36;1-2-10-24(11-3-1)34-23-31(30-16-9-19-39-38(30)40-34)26-13-8-12-25(20-26)27-21-32-28-14-4-6-17-35(28)41-36-18-7-5-15-29(36)33(22-27)37(32)41;1-2-12-30-24(7-1)26-18-21(22-8-5-11-29-23(22)9-6-16-34-29)19-27-25-17-20(28-10-3-4-15-33-28)13-14-31(25)35(30)32(26)27;1-2-9-20(10-3-1)27-19-26(24-13-8-18-33-32(24)34-27)22-16-17-23-21-11-4-6-14-28(21)35-29-15-7-5-12-25(29)30(22)31(23)35/h1-24H;1-23H;2*1-19H.

What are the key properties of 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 1933.31 g/mol, XLogP of 36.39, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-phenyl-1,8-naphthyridin-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-[3-(2-phenyl-1,8-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-phenyl-10-(3-quinolin-5-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-pyridin-2-yl-10-quinolin-5-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 160872155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).