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24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C35H20N6O — CID 122524298

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5cncnc5cc4c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C35H20N6O/c1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-29-17-23-19-36-20-37-28(23)18-27(29)25-15-16-26-24-13-7-8-14-30(24)42-32(26)31(25)41/h1-20H
InChIKeyIUYWZEVKQOGOGO-UHFFFAOYSA-N
MW540.59 g/mol
LogP8.15
Rot. Bonds3

About 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 122524298) has the molecular formula C35H20N6O and a molecular weight of 540.59 g/mol. Its IUPAC name is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
PubChem CID122524298
Molecular FormulaC35H20N6O
Molecular Weight540.59 g/mol
Exact Mass540.17
IUPAC Name24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5cncnc5cc4c4ccc5c6ccccc6oc5c43)n2)cc1
InChIInChI=1S/C35H20N6O/c1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-29-17-23-19-36-20-37-28(23)18-27(29)25-15-16-26-24-13-7-8-14-30(24)42-32(26)31(25)41/h1-20H
InChIKeyIUYWZEVKQOGOGO-UHFFFAOYSA-N
XLogP8.15
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 122524298) is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5cncnc5cc4c4ccc5c6ccccc6oc5c43)n2)cc1.
What is the InChIKey of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The InChIKey is IUYWZEVKQOGOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N6O/c1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-29-17-23-19-36-20-37-28(23)18-27(29)25-15-16-26-24-13-7-8-14-30(24)42-32(26)31(25)41/h1-20H.
What are the key properties of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 540.59 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 122524298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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