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

C45H37N3S — CID 171749128

IUPAC2-dibenzothiophen-3-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(-c4ccc5c(c4)sc4ccccc45)n3)ccc21
InChIInChI=1S/C45H37N3S/c1-44(2)24-25-45(3,4)38-26-31(21-23-37(38)44)42-46-41(30-18-16-29(17-19-30)34-14-9-11-28-10-5-6-12-33(28)34)47-43(48-42)32-20-22-36-35-13-7-8-15-39(35)49-40(36)27-32/h5-23,26-27H,24-25H2,1-4H3
InChIKeyXUBAQJMYGAMGPN-UHFFFAOYSA-N
MW651.88 g/mol
LogP12.41
Rot. Bonds4

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

2-dibenzothiophen-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine (PubChem CID 171749128) has the molecular formula C45H37N3S and a molecular weight of 651.88 g/mol. Its IUPAC name is 2-dibenzothiophen-3-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-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine
PubChem CID171749128
Molecular FormulaC45H37N3S
Molecular Weight651.88 g/mol
Exact Mass651.27
IUPAC Name2-dibenzothiophen-3-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(-c4ccc5c(c4)sc4ccccc45)n3)ccc21
InChIInChI=1S/C45H37N3S/c1-44(2)24-25-45(3,4)38-26-31(21-23-37(38)44)42-46-41(30-18-16-29(17-19-30)34-14-9-11-28-10-5-6-12-33(28)34)47-43(48-42)32-20-22-36-35-13-7-8-15-39(35)49-40(36)27-32/h5-23,26-27H,24-25H2,1-4H3
InChIKeyXUBAQJMYGAMGPN-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-3-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-4-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 171749149
2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 171749065
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171583030
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 163752158
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-dibenzothiophen-3-yl-4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166995664
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
2-dibenzothiophen-3-yl-4-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 168845077
2-dibenzothiophen-3-yl-4-phenanthren-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 169278876
2-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176587952

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-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-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine (CID 171749128) is 2-dibenzothiophen-3-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-3-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-3-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(-c4ccc5c(c4)sc4ccccc45)n3)ccc21.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is XUBAQJMYGAMGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N3S/c1-44(2)24-25-45(3,4)38-26-31(21-23-37(38)44)42-46-41(30-18-16-29(17-19-30)34-14-9-11-28-10-5-6-12-33(28)34)47-43(48-42)32-20-22-36-35-13-7-8-15-39(35)49-40(36)27-32/h5-23,26-27H,24-25H2,1-4H3.
What are the key properties of 2-dibenzothiophen-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine?
2-dibenzothiophen-3-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-3-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 171749128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).