2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

C47H27N3OS — CID 176817755

IUPAC2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3c2oc2c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(c5)sc5ccccc56)n4)cc32)cc1
InChIInChI=1S/C47H27N3OS/c1-2-12-29(13-3-1)33-18-10-19-38-39-27-40(34-15-6-7-17-37(34)44(39)51-43(33)38)47-49-45(31-22-21-28-11-4-5-14-30(28)25-31)48-46(50-47)32-23-24-36-35-16-8-9-20-41(35)52-42(36)26-32/h1-27H
InChIKeyJBNASTHVGZYXNK-UHFFFAOYSA-N
MW681.82 g/mol
LogP13.11
Rot. Bonds4

About 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (PubChem CID 176817755) has the molecular formula C47H27N3OS and a molecular weight of 681.82 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
PubChem CID176817755
Molecular FormulaC47H27N3OS
Molecular Weight681.82 g/mol
Exact Mass681.19
IUPAC Name2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3c2oc2c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(c5)sc5ccccc56)n4)cc32)cc1
InChIInChI=1S/C47H27N3OS/c1-2-12-29(13-3-1)33-18-10-19-38-39-27-40(34-15-6-7-17-37(34)44(39)51-43(33)38)47-49-45(31-22-21-28-11-4-5-14-30(28)25-31)48-46(50-47)32-23-24-36-35-16-8-9-20-41(35)52-42(36)26-32/h1-27H
InChIKeyJBNASTHVGZYXNK-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-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 176817925
2-dibenzothiophen-3-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine
CID 171757097
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167403415
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496709
N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167144638
2-(3-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 163806979
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845041
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2-(4-dibenzothiophen-3-ylphenyl)-4-(5-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172509468
2-dibenzothiophen-3-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587942
N-(4-dibenzothiophen-3-ylphenyl)-N-(2-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397552

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (CID 176817755) is 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is c1ccc(-c2cccc3c2oc2c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(c5)sc5ccccc56)n4)cc32)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The InChIKey is JBNASTHVGZYXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3OS/c1-2-12-29(13-3-1)33-18-10-19-38-39-27-40(34-15-6-7-17-37(34)44(39)51-43(33)38)47-49-45(31-22-21-28-11-4-5-14-30(28)25-31)48-46(50-47)32-23-24-36-35-16-8-9-20-41(35)52-42(36)26-32/h1-27H.
What are the key properties of 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-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-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is sourced from PubChem (CID 176817755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).