2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine

C47H29N3OS — CID 170011285

IUPAC2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=Cc2ccc(-c3ccc4oc5ccccc5c4c3-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2CC1
InChIInChI=1S/C47H29N3OS/c1-3-12-30-26-32(22-20-28(30)10-1)34-24-25-40-42(37-15-5-7-18-39(37)51-40)43(34)47-49-45(33-23-21-29-11-2-4-13-31(29)27-33)48-46(50-47)38-17-9-16-36-35-14-6-8-19-41(35)52-44(36)38/h1-2,4-11,13-27H,3,12H2
InChIKeyMOUUVSYHLZKTQR-UHFFFAOYSA-N
MW683.84 g/mol
LogP12.92
Rot. Bonds4

About 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 170011285) has the molecular formula C47H29N3OS and a molecular weight of 683.84 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID170011285
Molecular FormulaC47H29N3OS
Molecular Weight683.84 g/mol
Exact Mass683.20
IUPAC Name2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=Cc2ccc(-c3ccc4oc5ccccc5c4c3-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2CC1
InChIInChI=1S/C47H29N3OS/c1-3-12-30-26-32(22-20-28(30)10-1)34-24-25-40-42(37-15-5-7-18-39(37)51-40)43(34)47-49-45(33-23-21-29-11-2-4-13-31(29)27-33)48-46(50-47)38-17-9-16-36-35-14-6-8-19-41(35)52-44(36)38/h1-2,4-11,13-27H,3,12H2
InChIKeyMOUUVSYHLZKTQR-UHFFFAOYSA-N
XLogP12.92
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.84
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-(2-dibenzothiophen-4-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-9-yl)-6-phenyl-1,3,5-triazine
CID 167007336
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(2-phenanthren-3-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742322
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743482
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine
CID 164964254
2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 176632674
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481014
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine (CID 170011285) is 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine is C1=Cc2ccc(-c3ccc4oc5ccccc5c4c3-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)cc2CC1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is MOUUVSYHLZKTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3OS/c1-3-12-30-26-32(22-20-28(30)10-1)34-24-25-40-42(37-15-5-7-18-39(37)51-40)43(34)47-49-45(33-23-21-29-11-2-4-13-31(29)27-33)48-46(50-47)38-17-9-16-36-35-14-6-8-19-41(35)52-44(36)38/h1-2,4-11,13-27H,3,12H2.
What are the key properties of 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 683.84 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 170011285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).