2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine

C47H25N3OS — CID 166846399

IUPAC2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5oc6c7c(ccc6c45)-c4cccc5cccc-7c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C47H25N3OS/c1-2-10-28-25-29(22-21-26(28)9-1)45-48-46(50-47(49-45)36-17-8-20-39-42(36)32-13-3-4-19-38(32)52-39)35-16-7-18-37-41(35)34-24-23-31-30-14-5-11-27-12-6-15-33(40(27)30)43(31)44(34)51-37/h1-25H
InChIKeyDVKLYMBDVSVFMA-UHFFFAOYSA-N
MW679.80 g/mol
LogP13.09
Rot. Bonds3

About 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine

2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine (PubChem CID 166846399) has the molecular formula C47H25N3OS and a molecular weight of 679.80 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine
PubChem CID166846399
Molecular FormulaC47H25N3OS
Molecular Weight679.80 g/mol
Exact Mass679.17
IUPAC Name2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5oc6c7c(ccc6c45)-c4cccc5cccc-7c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C47H25N3OS/c1-2-10-28-25-29(22-21-26(28)9-1)45-48-46(50-47(49-45)36-17-8-20-39-42(36)32-13-3-4-19-38(32)52-39)35-16-7-18-37-41(35)34-24-23-31-30-14-5-11-27-12-6-15-33(40(27)30)43(31)44(34)51-37/h1-25H
InChIKeyDVKLYMBDVSVFMA-UHFFFAOYSA-N
XLogP13.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.80
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166846387
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163479356
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703
2-[5-(4-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzothiophen-2-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743502
4-dibenzothiophen-1-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 168784933
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-dibenzothiophen-2-yl-4-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742461
2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
CID 174198311
2-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-4-(3,4-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170011502
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine (CID 166846399) is 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4cccc5oc6c7c(ccc6c45)-c4cccc5cccc-7c45)nc(-c4cccc5sc6ccccc6c45)n3)ccc2c1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine?
The InChIKey is DVKLYMBDVSVFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H25N3OS/c1-2-10-28-25-29(22-21-26(28)9-1)45-48-46(50-47(49-45)36-17-8-20-39-42(36)32-13-3-4-19-38(32)52-39)35-16-7-18-37-41(35)34-24-23-31-30-14-5-11-27-12-6-15-33(40(27)30)43(31)44(34)51-37/h1-25H.
What are the key properties of 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine has a molecular weight of 679.80 g/mol, XLogP of 13.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaen-9-yl)-1,3,5-triazine is sourced from PubChem (CID 166846399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).