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

C43H21N3O3S — CID 162700730

IUPAC2-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
SMILESc1ccc(-c2nc(-c3ccc4sc5c6ccccc6cc6oc7ccc8oc3c4c8c7c65)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C43H21N3O3S/c1-2-9-22(10-3-1)41-44-42(26-14-8-16-29-34(26)25-13-6-7-15-28(25)47-29)46-43(45-41)27-17-20-33-38-36-31(49-39(27)38)19-18-30-35(36)37-32(48-30)21-23-11-4-5-12-24(23)40(37)50-33/h1-21H
InChIKeySEGLVFQEYKCLIB-UHFFFAOYSA-N
MW659.73 g/mol
LogP12.38
Rot. Bonds3

About 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

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 (PubChem CID 162700730) has the molecular formula C43H21N3O3S and a molecular weight of 659.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162700730
Molecular FormulaC43H21N3O3S
Molecular Weight659.73 g/mol
Exact Mass659.13
IUPAC Name2-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
SMILESc1ccc(-c2nc(-c3ccc4sc5c6ccccc6cc6oc7ccc8oc3c4c8c7c65)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C43H21N3O3S/c1-2-9-22(10-3-1)41-44-42(26-14-8-16-29-34(26)25-13-6-7-15-28(25)47-29)46-43(45-41)27-17-20-33-38-36-31(49-39(27)38)19-18-30-35(36)37-32(48-30)21-23-11-4-5-12-24(23)40(37)50-33/h1-21H
InChIKeySEGLVFQEYKCLIB-UHFFFAOYSA-N
XLogP12.38
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.73
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-(4-naphtho[1,2-b][1]benzothiol-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 163886647
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-dibenzofuran-3-yl-6-(8-phenyl-10-oxa-15,25-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),16,18,20-undecaen-17-yl)-1,3,5-triazine
CID 162700589
2-dibenzofuran-1-yl-4-phenyl-6-[4-(25-thiahexacyclo[12.11.0.02,11.03,8.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)naphthalen-1-yl]-1,3,5-triazine
CID 163678068
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-(8-naphtho[1,2-b][1]benzothiol-8-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166742638
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166739192
2-dibenzofuran-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazine
CID 155050287
2-dibenzofuran-1-yl-4-phenyl-6-(5-phenyl-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-14-yl)-1,3,5-triazine
CID 170268719
2-dibenzothiophen-1-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198930
2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 155329850
2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine
CID 162504545

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc4sc5c6ccccc6cc6oc7ccc8oc3c4c8c7c65)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is SEGLVFQEYKCLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H21N3O3S/c1-2-9-22(10-3-1)41-44-42(26-14-8-16-29-34(26)25-13-6-7-15-28(25)47-29)46-43(45-41)27-17-20-33-38-36-31(49-39(27)38)19-18-30-35(36)37-32(48-30)21-23-11-4-5-12-24(23)40(37)50-33/h1-21H.
What are the key properties of 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?
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 has a molecular weight of 659.73 g/mol, XLogP of 12.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162700730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).