2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene

C79H58N8 — CID 123675811

IUPAC2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
SMILESc1ccc(-n2c(-n3c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc3c4)nc3ccccc32)cc1
InChIInChI=1S/C79H58N8/c1-7-27-59(28-8-1)81-65-39-21-41-67(53-65)82(60-29-9-2-10-30-60)69-43-23-45-71(55-69)84(62-33-13-4-14-34-62)73-47-25-49-75(57-73)86(79-80-77-51-19-20-52-78(77)87(79)64-37-17-6-18-38-64)76-50-26-48-74(58-76)85(63-35-15-5-16-36-63)72-46-24-44-70(56-72)83(61-31-11-3-12-32-61)68-42-22-40-66(81)54-68/h1-58H
InChIKeyJZDGDASARWKILC-UHFFFAOYSA-N
MW1119.39 g/mol
LogP19.75
Rot. Bonds7

About 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene

2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene (PubChem CID 123675811) has the molecular formula C79H58N8 and a molecular weight of 1119.39 g/mol. Its IUPAC name is 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene.

Molecular Properties

Compound Name2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
PubChem CID123675811
Molecular FormulaC79H58N8
Molecular Weight1119.39 g/mol
Exact Mass1118.48
IUPAC Name2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
SMILESc1ccc(-n2c(-n3c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc3c4)nc3ccccc32)cc1
InChIInChI=1S/C79H58N8/c1-7-27-59(28-8-1)81-65-39-21-41-67(53-65)82(60-29-9-2-10-30-60)69-43-23-45-71(55-69)84(62-33-13-4-14-34-62)73-47-25-49-75(57-73)86(79-80-77-51-19-20-52-78(77)87(79)64-37-17-6-18-38-64)76-50-26-48-74(58-76)85(63-35-15-5-16-36-63)72-46-24-44-70(56-72)83(61-31-11-3-12-32-61)68-42-22-40-66(81)54-68/h1-58H
InChIKeyJZDGDASARWKILC-UHFFFAOYSA-N
XLogP19.75
TPSA47.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.39
LogP ≤ 519.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene?
The IUPAC name of 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene (CID 123675811) is 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene.
What is the SMILES notation for 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene?
The canonical SMILES for 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene is c1ccc(-n2c(-n3c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc(c4)n(-c4ccccc4)c4cccc3c4)nc3ccccc32)cc1.
What is the InChIKey of 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene?
The InChIKey is JZDGDASARWKILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H58N8/c1-7-27-59(28-8-1)81-65-39-21-41-67(53-65)82(60-29-9-2-10-30-60)69-43-23-45-71(55-69)84(62-33-13-4-14-34-62)73-47-25-49-75(57-73)86(79-80-77-51-19-20-52-78(77)87(79)64-37-17-6-18-38-64)76-50-26-48-74(58-76)85(63-35-15-5-16-36-63)72-46-24-44-70(56-72)83(61-31-11-3-12-32-61)68-42-22-40-66(81)54-68/h1-58H.
What are the key properties of 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene?
2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene has a molecular weight of 1119.39 g/mol, XLogP of 19.75, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene is sourced from PubChem (CID 123675811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).