3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C133H75N23O2S2 — CID 157158116

IUPAC3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccc7nccnc7c6sc5c43)cc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7nccnc7c6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7ncncc7c6oc5c43)n2)cc1.c1ccc2nc(-n3c4ccccc4c4ccc5c6ccc7nccnc7c6sc5c43)ncc2c1
InChIInChI=1S/2C35H20N6O.C35H20N6S.C28H15N5S/c1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-29-14-8-7-13-23(29)24-15-16-26-25-17-18-28-27(19-36-20-37-28)31(25)42-32(26)30(24)41;1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-28-14-8-7-13-23(28)24-15-16-26-25-17-18-27-29(37-20-19-36-27)31(25)42-32(26)30(24)41;1-2-10-31-22(7-1)23-11-12-25-24-13-14-28-32(39-18-17-38-28)34(24)42-35(25)33(23)41(31)21-19-29(26-8-3-5-15-36-26)40-30(20-21)27-9-4-6-16-37-27;1-3-7-21-16(5-1)15-31-28(32-21)33-23-8-4-2-6-17(23)18-9-10-20-19-11-12-22-24(30-14-13-29-22)26(19)34-27(20)25(18)33/h3*1-20H;1-15H
InChIKeyAMAZDXHZTWVGFY-UHFFFAOYSA-N
MW2091.36 g/mol
LogP31.94
Rot. Bonds10

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 157158116) has the molecular formula C133H75N23O2S2 and a molecular weight of 2091.36 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
PubChem CID157158116
Molecular FormulaC133H75N23O2S2
Molecular Weight2091.36 g/mol
Exact Mass2089.59
IUPAC Name3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccc7nccnc7c6sc5c43)cc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7nccnc7c6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7ncncc7c6oc5c43)n2)cc1.c1ccc2nc(-n3c4ccccc4c4ccc5c6ccc7nccnc7c6sc5c43)ncc2c1
InChIInChI=1S/2C35H20N6O.C35H20N6S.C28H15N5S/c1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-29-14-8-7-13-23(29)24-15-16-26-25-17-18-28-27(19-36-20-37-28)31(25)42-32(26)30(24)41;1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-28-14-8-7-13-23(28)24-15-16-26-25-17-18-27-29(37-20-19-36-27)31(25)42-32(26)30(24)41;1-2-10-31-22(7-1)23-11-12-25-24-13-14-28-32(39-18-17-38-28)34(24)42-35(25)33(23)41(31)21-19-29(26-8-3-5-15-36-26)40-30(20-21)27-9-4-6-16-37-27;1-3-7-21-16(5-1)15-31-28(32-21)33-23-8-4-2-6-17(23)18-9-10-20-19-11-12-22-24(30-14-13-29-22)26(19)34-27(20)25(18)33/h3*1-20H;1-15H
InChIKeyAMAZDXHZTWVGFY-UHFFFAOYSA-N
XLogP31.94
TPSA290.91 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds10
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.36
LogP ≤ 531.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 157158116) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccc7nccnc7c6sc5c43)cc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7nccnc7c6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7ncncc7c6oc5c43)n2)cc1.c1ccc2nc(-n3c4ccccc4c4ccc5c6ccc7nccnc7c6sc5c43)ncc2c1.
What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The InChIKey is AMAZDXHZTWVGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H20N6O.C35H20N6S.C28H15N5S/c1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-29-14-8-7-13-23(29)24-15-16-26-25-17-18-28-27(19-36-20-37-28)31(25)42-32(26)30(24)41;1-3-9-21(10-4-1)33-38-34(22-11-5-2-6-12-22)40-35(39-33)41-28-14-8-7-13-23(28)24-15-16-26-25-17-18-27-29(37-20-19-36-27)31(25)42-32(26)30(24)41;1-2-10-31-22(7-1)23-11-12-25-24-13-14-28-32(39-18-17-38-28)34(24)42-35(25)33(23)41(31)21-19-29(26-8-3-5-15-36-26)40-30(20-21)27-9-4-6-16-37-27;1-3-7-21-16(5-1)15-31-28(32-21)33-23-8-4-2-6-17(23)18-9-10-20-19-11-12-22-24(30-14-13-29-22)26(19)34-27(20)25(18)33/h3*1-20H;1-15H.
What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 2091.36 g/mol, XLogP of 31.94, 10 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-oxa-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-(2,6-dipyridin-2-yl-4-pyridinyl)-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-quinazolin-2-yl-24-thia-3,18,21-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 157158116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).