2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine

C47H27N3OS — CID 170926573

IUPAC2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILES[2H]c1cc([2H])c2oc3c([2H])c(-c4c([2H])c([2H])c([2H])c5c4sc4c([2H])c([2H])c([2H])c([2H])c45)c([2H])c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3c2c1
InChIInChI=1S/C47H27N3OS/c1-3-12-30-24-32(22-20-28(30)10-1)45-48-46(33-23-21-29-11-2-4-13-31(29)25-33)50-47(49-45)39-26-34(27-41-43(39)38-15-5-7-18-40(38)51-41)35-16-9-17-37-36-14-6-8-19-42(36)52-44(35)37/h1-27H/i5D,6D,8D,9D,14D,16D,17D,18D,19D,26D,27D
InChIKeyFOVMQUUCCCFDEP-HSPRHLQFSA-N
MW692.89 g/mol
LogP13.11
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 170926573) has the molecular formula C47H27N3OS and a molecular weight of 692.89 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID170926573
Molecular FormulaC47H27N3OS
Molecular Weight692.89 g/mol
Exact Mass692.26
IUPAC Name2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILES[2H]c1cc([2H])c2oc3c([2H])c(-c4c([2H])c([2H])c([2H])c5c4sc4c([2H])c([2H])c([2H])c([2H])c45)c([2H])c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3c2c1
InChIInChI=1S/C47H27N3OS/c1-3-12-30-24-32(22-20-28(30)10-1)45-48-46(33-23-21-29-11-2-4-13-31(29)25-33)50-47(49-45)39-26-34(27-41-43(39)38-15-5-7-18-40(38)51-41)35-16-9-17-37-36-14-6-8-19-42(36)52-44(35)37/h1-27H/i5D,6D,8D,9D,14D,16D,17D,18D,19D,26D,27D
InChIKeyFOVMQUUCCCFDEP-HSPRHLQFSA-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 ≤ 500692.89
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 169280182
2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-6-[2,4,6-trideuterio-3-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-5-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 171402502
2-dibenzofuran-3-yl-4-phenyl-6-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 168748857
2-naphthalen-2-yl-4-[4-[4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)phenyl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 170926860
2-(2,8-dideuterio-6-phenanthren-9-yldibenzofuran-1-yl)-4-(1,2,4,6,7,8,9-heptadeuteriodibenzothiophen-3-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170926607
2-dibenzofuran-1-yl-4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 169053841
2-dibenzofuran-1-yl-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 169053834
2-(4-dibenzofuran-1-ylphenyl)-4,6-bis(1,2,3,4,5,7,8,9,10-nonadeuterionaphtho[1,2-b][1]benzothiol-6-yl)-1,3,5-triazine
CID 176775578
2-[4-(6-deuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine;2-[4-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167613711
2-(2,4,6,7,8,9-hexadeuteriodibenzofuran-1-yl)-4-naphthalen-2-yl-6-[3-naphthalen-2-yl-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 176616683
2-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-4-(1,3,4,6,7,8,9-heptadeuteriodibenzothiophen-2-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 169280077
2-[4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-4-naphthalen-2-yl-6-(4,6,7,8-tetradeuterio-2-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170926971

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 170926573) is 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine is [2H]c1cc([2H])c2oc3c([2H])c(-c4c([2H])c([2H])c([2H])c5c4sc4c([2H])c([2H])c([2H])c([2H])c45)c([2H])c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3c2c1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is FOVMQUUCCCFDEP-HSPRHLQFSA-N. The full InChI is InChI=1S/C47H27N3OS/c1-3-12-30-24-32(22-20-28(30)10-1)45-48-46(33-23-21-29-11-2-4-13-31(29)25-33)50-47(49-45)39-26-34(27-41-43(39)38-15-5-7-18-40(38)51-41)35-16-9-17-37-36-14-6-8-19-42(36)52-44(35)37/h1-27H/i5D,6D,8D,9D,14D,16D,17D,18D,19D,26D,27D.
What are the key properties of 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 692.89 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 2,4-dinaphthalen-2-yl-6-[2,4,6,8-tetradeuterio-3-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170926573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).