2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine

C37H19N3O2S — CID 162700564

IUPAC2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5ccc6sc7cc8ccccc8c8oc(c3)c4c5c6c78)n2)cc1
InChIInChI=1S/C37H19N3O2S/c1-3-9-20(10-4-1)35-38-36(21-11-5-2-6-12-21)40-37(39-35)23-17-26-30-27(18-23)42-34-24-14-8-7-13-22(24)19-29-33(34)32-28(43-29)16-15-25(41-26)31(30)32/h1-19H
InChIKeyVOSULDUHVKABIM-UHFFFAOYSA-N
MW569.65 g/mol
LogP10.48
Rot. Bonds3

About 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine

2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 162700564) has the molecular formula C37H19N3O2S and a molecular weight of 569.65 g/mol. Its IUPAC name is 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID162700564
Molecular FormulaC37H19N3O2S
Molecular Weight569.65 g/mol
Exact Mass569.12
IUPAC Name2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5ccc6sc7cc8ccccc8c8oc(c3)c4c5c6c78)n2)cc1
InChIInChI=1S/C37H19N3O2S/c1-3-9-20(10-4-1)35-38-36(21-11-5-2-6-12-21)40-37(39-35)23-17-26-30-27(18-23)42-34-24-14-8-7-13-22(24)19-29-33(34)32-28(43-29)16-15-25(41-26)31(30)32/h1-19H
InChIKeyVOSULDUHVKABIM-UHFFFAOYSA-N
XLogP10.48
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.65
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(10,25-dioxa-15-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16,18,20-undecaen-18-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 162700666
2-dibenzofuran-1-yl-4-(10,15-dioxa-25-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16,18,20-undecaen-17-yl)-6-phenyl-1,3,5-triazine
CID 162700730
2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 177130835
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(10,15,25-trithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-1,3,5-triazine
CID 162700587
9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole
CID 162700672
2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170305304
18-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-11-thia-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177086253
2-dibenzothiophen-2-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 176755171
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
15-oxa-10,25-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaene
CID 162700590
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2,4-diphenyl-6-[7-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198656

Frequently Asked Questions

What is the IUPAC name of 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine (CID 162700564) is 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4oc5ccc6sc7cc8ccccc8c8oc(c3)c4c5c6c78)n2)cc1.
What is the InChIKey of 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VOSULDUHVKABIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H19N3O2S/c1-3-9-20(10-4-1)35-38-36(21-11-5-2-6-12-21)40-37(39-35)23-17-26-30-27(18-23)42-34-24-14-8-7-13-22(24)19-29-33(34)32-28(43-29)16-15-25(41-26)31(30)32/h1-19H.
What are the key properties of 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine?
2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 569.65 g/mol, XLogP of 10.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15,25-dioxa-10-thiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1(24),2,4,6,8,11(23),12,14(22),16(21),17,19-undecaen-18-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162700564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).