8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

C126H96N10 — CID 159278488

About 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene

8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (PubChem CID 159278488) has the molecular formula C126H96N10 and a molecular weight of 1750.22 g/mol. Its IUPAC name is 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

Molecular Properties

• Compound Name: 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
• PubChem CID: 159278488
• Molecular Formula: C126H96N10
• Molecular Weight: 1750.22 g/mol
• Exact Mass: 1748.78
• IUPAC Name: 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
• SMILES: CC1(C)c2cc(-c3cccc(-c4ccccc4)c3)ccc2-n2c(-c3ccccc3)nc3cccc1c32.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-n2c(-c3ccccn3)nc3cccc1c32.CC1(C)c2cc(-c3ccccc3)ccc2-n2c(-c3ccccn3)nc3cccc1c32.CC1(C)c2cc(-c3ccccc3-c3ccccc3)ccc2-n2c(-c3ccccc3)nc3cccc1c32
• InChI: InChI=1S/2C34H26N2.C31H23N3.C27H21N3/c1-34(2)28-17-10-18-30-32(28)36(33(35-30)24-13-7-4-8-14-24)31-20-19-27(22-29(31)34)26-16-9-15-25(21-26)23-11-5-3-6-12-23;1-34(2)28-18-11-19-30-32(28)36(33(35-30)24-14-7-4-8-15-24)31-21-20-25(22-29(31)34)27-17-10-9-16-26(27)23-12-5-3-6-13-23;1-31(2)24-13-8-15-26-29(24)34(30(33-26)27-14-5-6-18-32-27)28-17-16-21(19-25(28)31)23-12-7-10-20-9-3-4-11-22(20)23;1-27(2)20-11-8-13-22-25(20)30(26(29-22)23-12-6-7-16-28-23)24-15-14-19(17-21(24)27)18-9-4-3-5-10-18/h2*3-22H,1-2H3;3-19H,1-2H3;3-17H,1-2H3
• InChIKey: KYPOXFWKPBRSOP-UHFFFAOYSA-N
• XLogP: 31.27
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1750.22
LogP ≤ 5	31.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The IUPAC name of 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene (CID 159278488) is 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene.

What is the SMILES notation for 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The canonical SMILES for 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is CC1(C)c2cc(-c3cccc(-c4ccccc4)c3)ccc2-n2c(-c3ccccc3)nc3cccc1c32.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-n2c(-c3ccccn3)nc3cccc1c32.CC1(C)c2cc(-c3ccccc3)ccc2-n2c(-c3ccccn3)nc3cccc1c32.CC1(C)c2cc(-c3ccccc3-c3ccccc3)ccc2-n2c(-c3ccccc3)nc3cccc1c32.

What is the InChIKey of 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

The InChIKey is KYPOXFWKPBRSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H26N2.C31H23N3.C27H21N3/c1-34(2)28-17-10-18-30-32(28)36(33(35-30)24-13-7-4-8-14-24)31-20-19-27(22-29(31)34)26-16-9-15-25(21-26)23-11-5-3-6-12-23;1-34(2)28-18-11-19-30-32(28)36(33(35-30)24-14-7-4-8-15-24)31-21-20-25(22-29(31)34)27-17-10-9-16-26(27)23-12-5-3-6-13-23;1-31(2)24-13-8-15-26-29(24)34(30(33-26)27-14-5-6-18-32-27)28-17-16-21(19-25(28)31)23-12-7-10-20-9-3-4-11-22(20)23;1-27(2)20-11-8-13-22-25(20)30(26(29-22)23-12-6-7-16-28-23)24-15-14-19(17-21(24)27)18-9-4-3-5-10-18/h2*3-22H,1-2H3;3-19H,1-2H3;3-17H,1-2H3.

What are the key properties of 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene?

8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene has a molecular weight of 1750.22 g/mol, XLogP of 31.27, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-5-naphthalen-1-yl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(2-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-15-phenyl-5-(3-phenylphenyl)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene;8,8-dimethyl-5-phenyl-15-pyridin-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene is sourced from PubChem (CID 159278488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).