15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene

C145H103N9 — CID 159991613

About 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene

15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene (PubChem CID 159991613) has the molecular formula C145H103N9 and a molecular weight of 1971.48 g/mol. Its IUPAC name is 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene.

Molecular Properties

• Compound Name: 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene
• PubChem CID: 159991613
• Molecular Formula: C145H103N9
• Molecular Weight: 1971.48 g/mol
• Exact Mass: 1969.83
• IUPAC Name: 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene
• SMILES: CC1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c21.CC1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.CC1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c21.CC1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
• InChI: InChI=1S/C40H28N4.C39H27N3.C35H25N.C31H23N/c1-40(2)32-21-12-18-25-17-11-20-29(34(25)32)30-23-24-31-28-19-9-10-22-33(28)44(36(31)35(30)40)39-42-37(26-13-5-3-6-14-26)41-38(43-39)27-15-7-4-8-16-27;1-39(2)31-19-11-15-24-14-10-18-27(34(24)31)28-22-23-29-26-16-7-9-21-33(26)42(37(29)35(28)39)38-40-32-20-8-6-17-30(32)36(41-38)25-12-4-3-5-13-25;1-35(2)29-17-8-13-23-12-7-16-26(32(23)29)27-20-21-28-25-15-5-6-18-31(25)36(34(28)33(27)35)30-19-9-11-22-10-3-4-14-24(22)30;1-31(2)26-16-9-11-20-10-8-15-23(28(20)26)24-18-19-25-22-14-6-7-17-27(22)32(30(25)29(24)31)21-12-4-3-5-13-21/h3-24H,1-2H3;3-23H,1-2H3;3-21H,1-2H3;3-19H,1-2H3
• InChIKey: OHADARBWHBYABB-UHFFFAOYSA-N
• XLogP: 37.26
• TPSA: 84.17 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1971.48
LogP ≤ 5	37.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene?

The IUPAC name of 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene (CID 159991613) is 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene.

What is the SMILES notation for 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene?

The canonical SMILES for 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene is CC1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c21.CC1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.CC1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c21.CC1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.

What is the InChIKey of 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene?

The InChIKey is OHADARBWHBYABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4.C39H27N3.C35H25N.C31H23N/c1-40(2)32-21-12-18-25-17-11-20-29(34(25)32)30-23-24-31-28-19-9-10-22-33(28)44(36(31)35(30)40)39-42-37(26-13-5-3-6-14-26)41-38(43-39)27-15-7-4-8-16-27;1-39(2)31-19-11-15-24-14-10-18-27(34(24)31)28-22-23-29-26-16-7-9-21-33(26)42(37(29)35(28)39)38-40-32-20-8-6-17-30(32)36(41-38)25-12-4-3-5-13-25;1-35(2)29-17-8-13-23-12-7-16-26(32(23)29)27-20-21-28-25-15-5-6-18-31(25)36(34(28)33(27)35)30-19-9-11-22-10-3-4-14-24(22)30;1-31(2)26-16-9-11-20-10-8-15-23(28(20)26)24-18-19-25-22-14-6-7-17-27(22)32(30(25)29(24)31)21-12-4-3-5-13-21/h3-24H,1-2H3;3-23H,1-2H3;3-21H,1-2H3;3-19H,1-2H3.

What are the key properties of 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene?

15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene has a molecular weight of 1971.48 g/mol, XLogP of 37.26, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-phenyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;15,15-dimethyl-12-(4-phenylquinazolin-2-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene is sourced from PubChem (CID 159991613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).