5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene

C38H24N4O5 — CID 102264710

IUPAC5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene
SMILESc1ccc(-c2nc3cc(n2)Oc2cccc(c2)Oc2cc(nc(-c4ccccc4)n2)Oc2cccc(c2)Oc2cccc(c2)O3)cc1
InChIInChI=1S/C38H24N4O5/c1-3-10-25(11-4-1)37-39-33-23-35(41-37)46-31-18-9-19-32(22-31)47-36-24-34(40-38(42-36)26-12-5-2-6-13-26)45-30-17-8-15-28(21-30)43-27-14-7-16-29(20-27)44-33/h1-24H
InChIKeyZXJDTGROEOJPQQ-UHFFFAOYSA-N
MW616.63 g/mol
LogP9.88
Rot. Bonds2

About 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene

5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene (PubChem CID 102264710) has the molecular formula C38H24N4O5 and a molecular weight of 616.63 g/mol. Its IUPAC name is 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene.

Molecular Properties

Compound Name5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene
PubChem CID102264710
Molecular FormulaC38H24N4O5
Molecular Weight616.63 g/mol
Exact Mass616.17
IUPAC Name5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene
SMILESc1ccc(-c2nc3cc(n2)Oc2cccc(c2)Oc2cc(nc(-c4ccccc4)n2)Oc2cccc(c2)Oc2cccc(c2)O3)cc1
InChIInChI=1S/C38H24N4O5/c1-3-10-25(11-4-1)37-39-33-23-35(41-37)46-31-18-9-19-32(22-31)47-36-24-34(40-38(42-36)26-12-5-2-6-13-26)45-30-17-8-15-28(21-30)43-27-14-7-16-29(20-27)44-33/h1-24H
InChIKeyZXJDTGROEOJPQQ-UHFFFAOYSA-N
XLogP9.88
TPSA97.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.63
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene?
The IUPAC name of 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene (CID 102264710) is 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene.
What is the SMILES notation for 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene?
The canonical SMILES for 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene is c1ccc(-c2nc3cc(n2)Oc2cccc(c2)Oc2cc(nc(-c4ccccc4)n2)Oc2cccc(c2)Oc2cccc(c2)O3)cc1.
What is the InChIKey of 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene?
The InChIKey is ZXJDTGROEOJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O5/c1-3-10-25(11-4-1)37-39-33-23-35(41-37)46-31-18-9-19-32(22-31)47-36-24-34(40-38(42-36)26-12-5-2-6-13-26)45-30-17-8-15-28(21-30)43-27-14-7-16-29(20-27)44-33/h1-24H.
What are the key properties of 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene?
5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene has a molecular weight of 616.63 g/mol, XLogP of 9.88, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene is sourced from PubChem (CID 102264710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).