N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine

C73H54N4O2 — CID 146432773

About N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine

N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine (PubChem CID 146432773) has the molecular formula C73H54N4O2 and a molecular weight of 1019.26 g/mol. Its IUPAC name is N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine
• PubChem CID: 146432773
• Molecular Formula: C73H54N4O2
• Molecular Weight: 1019.26 g/mol
• Exact Mass: 1018.42
• IUPAC Name: N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine
• SMILES: Cc1ccc(-c2cc3c(c4c2oc2ccccc24)-c2ccc(N(c4ccc5c(c4)C(C)(C)c4c6c(c7oc8ccccc8c7c4-5)-c4ccccc4C6(C)C)c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2C3(C)C)cc1
• InChI: InChI=1S/C73H54N4O2/c1-41-30-32-42(33-31-41)52-40-56-59(61-50-25-15-18-28-57(50)78-66(52)61)48-36-34-45(38-54(48)71(56,2)3)77(70-75-68(43-20-10-8-11-21-43)74-69(76-70)44-22-12-9-13-23-44)46-35-37-49-55(39-46)73(6,7)64-60(49)62-51-26-16-19-29-58(51)79-67(62)63-47-24-14-17-27-53(47)72(4,5)65(63)64/h8-40H,1-7H3
• InChIKey: PYZPWFAIHWPJAM-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 68.19 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.26
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine?

The IUPAC name of N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine (CID 146432773) is N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine.

What is the SMILES notation for N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine?

The canonical SMILES for N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine is Cc1ccc(-c2cc3c(c4c2oc2ccccc24)-c2ccc(N(c4ccc5c(c4)C(C)(C)c4c6c(c7oc8ccccc8c7c4-5)-c4ccccc4C6(C)C)c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2C3(C)C)cc1.

What is the InChIKey of N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine?

The InChIKey is PYZPWFAIHWPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N4O2/c1-41-30-32-42(33-31-41)52-40-56-59(61-50-25-15-18-28-57(50)78-66(52)61)48-36-34-45(38-54(48)71(56,2)3)77(70-75-68(43-20-10-8-11-21-43)74-69(76-70)44-22-12-9-13-23-44)46-35-37-49-55(39-46)73(6,7)64-60(49)62-51-26-16-19-29-58(51)79-67(62)63-47-24-14-17-27-53(47)72(4,5)65(63)64/h8-40H,1-7H3.

What are the key properties of N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine?

N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine has a molecular weight of 1019.26 g/mol, XLogP of 19.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-4,6-diphenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 146432773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).