2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine

C45H37N3S — CID 171749149

IUPAC2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESCC1(C)CCC(C)(C)c2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)ccc21
InChIInChI=1S/C45H37N3S/c1-44(2)25-26-45(3,4)38-27-31(23-24-37(38)44)42-46-41(30-21-19-29(20-22-30)33-15-9-12-28-11-5-6-13-32(28)33)47-43(48-42)36-17-10-16-35-34-14-7-8-18-39(34)49-40(35)36/h5-24,27H,25-26H2,1-4H3
InChIKeySJKRQIFQQWFVQL-UHFFFAOYSA-N
MW651.88 g/mol
LogP12.41
Rot. Bonds4

About 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine (PubChem CID 171749149) has the molecular formula C45H37N3S and a molecular weight of 651.88 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine
PubChem CID171749149
Molecular FormulaC45H37N3S
Molecular Weight651.88 g/mol
Exact Mass651.27
IUPAC Name2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESCC1(C)CCC(C)(C)c2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)ccc21
InChIInChI=1S/C45H37N3S/c1-44(2)25-26-45(3,4)38-27-31(23-24-37(38)44)42-46-41(30-21-19-29(20-22-30)33-15-9-12-28-11-5-6-13-32(28)33)47-43(48-42)36-17-10-16-35-34-14-7-8-18-39(34)49-40(35)36/h5-24,27H,25-26H2,1-4H3
InChIKeySJKRQIFQQWFVQL-UHFFFAOYSA-N
XLogP12.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.88
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 171749128
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155480695
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155480914
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
16-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4(9),10,14,17,19,21,23-nonaene
CID 177086501
2-dibenzothiophen-4-yl-4-(6-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176587486
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441954
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139441909
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139442171
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441932
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 161018088

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine (CID 171749149) is 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine is CC1(C)CCC(C)(C)c2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4cccc5c4sc4ccccc45)n3)ccc21.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is SJKRQIFQQWFVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N3S/c1-44(2)25-26-45(3,4)38-27-31(23-24-37(38)44)42-46-41(30-21-19-29(20-22-30)33-15-9-12-28-11-5-6-13-32(28)33)47-43(48-42)36-17-10-16-35-34-14-7-8-18-39(34)49-40(35)36/h5-24,27H,25-26H2,1-4H3.
What are the key properties of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 651.88 g/mol, XLogP of 12.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 171749149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).