2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine

C94H52N6O2 — CID 166846491

About 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine

2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 166846491) has the molecular formula C94H52N6O2 and a molecular weight of 1297.49 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 166846491
• Molecular Formula: C94H52N6O2
• Molecular Weight: 1297.49 g/mol
• Exact Mass: 1296.42
• IUPAC Name: 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7cc8c9c(cccc9c7c56)-c5cc(-c6ccc(-c7cccc(-c9nc(-c%10ccc%11ccccc%11c%10)nc(-c%10ccc%11oc%12cc%13c%14c(cccc%14c%12c%11c%10)-c%10ccccc%10-%13)n9)c7)cc6)ccc5-8)n4)ccc3c2)cc1
• InChI: InChI=1S/C94H52N6O2/c1-3-15-53(16-4-1)60-36-37-62-48-66(40-38-61(62)45-60)92-95-89(57-18-5-2-6-19-57)99-94(100-92)75-29-14-30-81-88(75)87-74-28-13-26-72-76-49-63(41-43-70(76)78(85(72)74)52-83(87)102-81)56-33-31-55(32-34-56)59-21-11-22-64(46-59)90-96-91(65-39-35-54-17-7-8-20-58(54)47-65)98-93(97-90)67-42-44-80-79(50-67)86-73-27-12-25-71-68-23-9-10-24-69(68)77(84(71)73)51-82(86)101-80/h1-52H
• InChIKey: GTFYSMHCSDDEED-UHFFFAOYSA-N
• XLogP: 24.77
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.49
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine (CID 166846491) is 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7cc8c9c(cccc9c7c56)-c5cc(-c6ccc(-c7cccc(-c9nc(-c%10ccc%11ccccc%11c%10)nc(-c%10ccc%11oc%12cc%13c%14c(cccc%14c%12c%11c%10)-c%10ccccc%10-%13)n9)c7)cc6)ccc5-8)n4)ccc3c2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine?

The InChIKey is GTFYSMHCSDDEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H52N6O2/c1-3-15-53(16-4-1)60-36-37-62-48-66(40-38-61(62)45-60)92-95-89(57-18-5-2-6-19-57)99-94(100-92)75-29-14-30-81-88(75)87-74-28-13-26-72-76-49-63(41-43-70(76)78(85(72)74)52-83(87)102-81)56-33-31-55(32-34-56)59-21-11-22-64(46-59)90-96-91(65-39-35-54-17-7-8-20-58(54)47-65)98-93(97-90)67-42-44-80-79(50-67)86-73-27-12-25-71-68-23-9-10-24-69(68)77(84(71)73)51-82(86)101-80/h1-52H.

What are the key properties of 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine?

2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1297.49 g/mol, XLogP of 24.77, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-6-[3-[4-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaen-16-yl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 166846491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).