6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]

C55H33N3 — CID 122522377

About 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]

6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] (PubChem CID 122522377) has the molecular formula C55H33N3 and a molecular weight of 735.89 g/mol. Its IUPAC name is 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene].

Molecular Properties

• Compound Name: 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
• PubChem CID: 122522377
• Molecular Formula: C55H33N3
• Molecular Weight: 735.89 g/mol
• Exact Mass: 735.27
• IUPAC Name: 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]
• SMILES: c1ccc(-n2c3cccc4c3c3c(cccc32)C2(c3cccc5c3c3c-4cccc3n5-c3ccccc3)c3cccc4c3c3c2cccc3n4-c2ccccc2)cc1
• InChI: InChI=1S/C55H33N3/c1-4-16-34(17-5-1)56-43-28-10-22-37-38-23-11-29-44-50(38)52-40(25-13-31-46(52)57(44)35-18-6-2-7-19-35)55(39-24-12-30-45(56)51(39)49(37)43)41-26-14-32-47-53(41)54-42(55)27-15-33-48(54)58(47)36-20-8-3-9-21-36/h1-33H
• InChIKey: YDKSLPGPYAZWAE-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.89
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]?

The IUPAC name of 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] (CID 122522377) is 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene].

What is the SMILES notation for 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]?

The canonical SMILES for 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] is c1ccc(-n2c3cccc4c3c3c(cccc32)C2(c3cccc5c3c3c-4cccc3n5-c3ccccc3)c3cccc4c3c3c2cccc3n4-c2ccccc2)cc1.

What is the InChIKey of 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]?

The InChIKey is YDKSLPGPYAZWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3/c1-4-16-34(17-5-1)56-43-28-10-22-37-38-23-11-29-44-50(38)52-40(25-13-31-46(52)57(44)35-18-6-2-7-19-35)55(39-24-12-30-45(56)51(39)49(37)43)41-26-14-32-47-53(41)54-42(55)27-15-33-48(54)58(47)36-20-8-3-9-21-36/h1-33H.

What are the key properties of 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene]?

6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] has a molecular weight of 735.89 g/mol, XLogP of 13.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6',26,27-triphenylspiro[26,27-diazaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,14'-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene] is sourced from PubChem (CID 122522377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).