2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

C49H29N3OS — CID 170926841

IUPAC2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1cc2c(oc3c([2H])cc([2H])c(-c4nc(-c5ccc6ccccc6c5)nc(-c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5[2H])n4)c32)c(-c2ccc3c(c2)sc2ccccc23)c1[2H]
InChIInChI=1S/C49H29N3OS/c1-2-10-30(11-3-1)32-20-23-33(24-21-32)47-50-48(36-25-22-31-12-4-5-13-34(31)28-36)52-49(51-47)41-17-9-18-42-45(41)40-16-8-15-37(46(40)53-42)35-26-27-39-38-14-6-7-19-43(38)54-44(39)29-35/h1-29H/i1D,2D,3D,8D,10D,11D,15D,17D,18D,20D,21D,23D,24D
InChIKeyWHBBABIRHBCJAD-KDXNZJHJSA-N
MW720.94 g/mol
LogP13.63
Rot. Bonds5

About 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine

2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (PubChem CID 170926841) has the molecular formula C49H29N3OS and a molecular weight of 720.94 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
PubChem CID170926841
Molecular FormulaC49H29N3OS
Molecular Weight720.94 g/mol
Exact Mass720.28
IUPAC Name2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
SMILES[2H]c1cc2c(oc3c([2H])cc([2H])c(-c4nc(-c5ccc6ccccc6c5)nc(-c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5[2H])n4)c32)c(-c2ccc3c(c2)sc2ccccc23)c1[2H]
InChIInChI=1S/C49H29N3OS/c1-2-10-30(11-3-1)32-20-23-33(24-21-32)47-50-48(36-25-22-31-12-4-5-13-34(31)28-36)52-49(51-47)41-17-9-18-42-45(41)40-16-8-15-37(46(40)53-42)35-26-27-39-38-14-6-7-19-43(38)54-44(39)29-35/h1-29H/i1D,2D,3D,8D,10D,11D,15D,17D,18D,20D,21D,23D,24D
InChIKeyWHBBABIRHBCJAD-KDXNZJHJSA-N
XLogP13.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.94
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-(2,3,4,5,6-pentadeuteriophenyl)-4-(6-phenylnaphthalen-2-yl)-6-(2,4,7,8-tetradeuterio-6-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170927066
2-(6-chloro-2,4,7,8-tetradeuteriodibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171587108
2-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-phenanthren-3-ylphenyl)-1,3,5-triazine
CID 170926683
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-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-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 169059342
2-(9-dibenzothiophen-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 170362704
2-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808668
2-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 170514665
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166743055
2-dibenzothiophen-3-yl-4-[3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170691045

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine (CID 170926841) is 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is [2H]c1cc2c(oc3c([2H])cc([2H])c(-c4nc(-c5ccc6ccccc6c5)nc(-c5c([2H])c([2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c([2H])c5[2H])n4)c32)c(-c2ccc3c(c2)sc2ccccc23)c1[2H].
What is the InChIKey of 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
The InChIKey is WHBBABIRHBCJAD-KDXNZJHJSA-N. The full InChI is InChI=1S/C49H29N3OS/c1-2-10-30(11-3-1)32-20-23-33(24-21-32)47-50-48(36-25-22-31-12-4-5-13-34(31)28-36)52-49(51-47)41-17-9-18-42-45(41)40-16-8-15-37(46(40)53-42)35-26-27-39-38-14-6-7-19-43(38)54-44(39)29-35/h1-29H/i1D,2D,3D,8D,10D,11D,15D,17D,18D,20D,21D,23D,24D.
What are the key properties of 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine?
2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine has a molecular weight of 720.94 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(2,4,7,8-tetradeuterio-6-dibenzothiophen-3-yldibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170926841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).