2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine

C47H27N3OS — CID 174328436

IUPAC2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)c4c(c3)sc3ccccc34)ccc2c1
InChIInChI=1S/C47H27N3OS/c1-3-11-30-23-32(19-17-28(30)9-1)35-26-39(44-37-14-6-8-16-42(37)52-43(44)27-35)47-49-45(33-20-18-29-10-2-4-12-31(29)24-33)48-46(50-47)34-21-22-41-38(25-34)36-13-5-7-15-40(36)51-41/h1-27H
InChIKeyBJZUUWHXEKPXEV-UHFFFAOYSA-N
MW681.82 g/mol
LogP13.11
Rot. Bonds4

About 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine (PubChem CID 174328436) has the molecular formula C47H27N3OS and a molecular weight of 681.82 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
PubChem CID174328436
Molecular FormulaC47H27N3OS
Molecular Weight681.82 g/mol
Exact Mass681.19
IUPAC Name2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)c4c(c3)sc3ccccc34)ccc2c1
InChIInChI=1S/C47H27N3OS/c1-3-11-30-23-32(19-17-28(30)9-1)35-26-39(44-37-14-6-8-16-42(37)52-43(44)27-35)47-49-45(33-20-18-29-10-2-4-12-31(29)24-33)48-46(50-47)34-21-22-41-38(25-34)36-13-5-7-15-40(36)51-41/h1-27H
InChIKeyBJZUUWHXEKPXEV-UHFFFAOYSA-N
XLogP13.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.82
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328334
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-(3-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742355
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378609
4-dibenzofuran-1-yl-2-(3-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 174328527
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742327
2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402609
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-naphtho[2,1-b][1]benzofuran-10-yl-4-phenyl-6-(1-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 174328708
4-dibenzofuran-2-yl-6-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171585383
2-dibenzofuran-2-yl-4-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170363880

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine (CID 174328436) is 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine is c1ccc2cc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)c4c(c3)sc3ccccc34)ccc2c1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
The InChIKey is BJZUUWHXEKPXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3OS/c1-3-11-30-23-32(19-17-28(30)9-1)35-26-39(44-37-14-6-8-16-42(37)52-43(44)27-35)47-49-45(33-20-18-29-10-2-4-12-31(29)24-33)48-46(50-47)34-21-22-41-38(25-34)36-13-5-7-15-40(36)51-41/h1-27H.
What are the key properties of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine has a molecular weight of 681.82 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 174328436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).