15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C120H83N5O4 — CID 159641509

About 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 159641509) has the molecular formula C120H83N5O4 and a molecular weight of 1659.01 g/mol. Its IUPAC name is 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
• PubChem CID: 159641509
• Molecular Formula: C120H83N5O4
• Molecular Weight: 1659.01 g/mol
• Exact Mass: 1657.64
• IUPAC Name: 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
• SMILES: CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3cc21.CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4cccc5ccccc45)c3cc21.COc1ccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2cc3oc5ccccc5c3cc2-4)cc1
• InChI: InChI=1S/C49H33N3O.C37H25NO.C34H25NO2/c1-49(2)40-27-45-38(25-36(40)37-26-39-35-18-10-12-20-46(35)53-47(39)28-41(37)49)34-17-9-11-19-44(34)52(45)33-23-21-32(22-24-33)48-50-42(30-13-5-3-6-14-30)29-43(51-48)31-15-7-4-8-16-31;1-37(2)30-20-34-28(18-26(30)27-19-29-25-14-6-8-17-35(25)39-36(29)21-31(27)37)24-13-5-7-15-33(24)38(34)32-16-9-11-22-10-3-4-12-23(22)32;1-34(2)28-18-31-26(22-8-4-6-10-30(22)35(31)20-12-14-21(36-3)15-13-20)16-24(28)25-17-27-23-9-5-7-11-32(23)37-33(27)19-29(25)34/h3-29H,1-2H3;3-21H,1-2H3;4-19H,1-3H3
• InChIKey: MQKKALKNZNWWDR-UHFFFAOYSA-N
• XLogP: 31.92
• TPSA: 89.22 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1659.01
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The IUPAC name of 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 159641509) is 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

What is the SMILES notation for 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The canonical SMILES for 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3cc21.CC1(C)c2cc3oc4ccccc4c3cc2-c2cc3c4ccccc4n(-c4cccc5ccccc45)c3cc21.COc1ccc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)c2cc3oc5ccccc5c3cc2-4)cc1.

What is the InChIKey of 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The InChIKey is MQKKALKNZNWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O.C37H25NO.C34H25NO2/c1-49(2)40-27-45-38(25-36(40)37-26-39-35-18-10-12-20-46(35)53-47(39)28-41(37)49)34-17-9-11-19-44(34)52(45)33-23-21-32(22-24-33)48-50-42(30-13-5-3-6-14-30)29-43(51-48)31-15-7-4-8-16-31;1-37(2)30-20-34-28(18-26(30)27-19-29-25-14-6-8-17-35(25)39-36(29)21-31(27)37)24-13-5-7-15-33(24)38(34)32-16-9-11-22-10-3-4-12-23(22)32;1-34(2)28-18-31-26(22-8-4-6-10-30(22)35(31)20-12-14-21(36-3)15-13-20)16-24(28)25-17-27-23-9-5-7-11-32(23)37-33(27)19-29(25)34/h3-29H,1-2H3;3-21H,1-2H3;4-19H,1-3H3.

What are the key properties of 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 1659.01 g/mol, XLogP of 31.92, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15-dimethyl-19-naphthalen-1-yl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;19-(4-methoxyphenyl)-15,15-dimethyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 159641509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).