2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine

C37H23N3S — CID 177119517

IUPAC2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C37H23N3S/c1-2-10-24(11-3-1)27-14-8-15-28(22-27)35-38-36(29-21-20-25-12-4-5-13-26(25)23-29)40-37(39-35)32-18-9-17-31-30-16-6-7-19-33(30)41-34(31)32/h1-23H
InChIKeyKOHLGTYCDCJLDB-UHFFFAOYSA-N
MW541.68 g/mol
LogP10.06
Rot. Bonds4

About 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 177119517) has the molecular formula C37H23N3S and a molecular weight of 541.68 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID177119517
Molecular FormulaC37H23N3S
Molecular Weight541.68 g/mol
Exact Mass541.16
IUPAC Name2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C37H23N3S/c1-2-10-24(11-3-1)27-14-8-15-28(22-27)35-38-36(29-21-20-25-12-4-5-13-26(25)23-29)40-37(39-35)32-18-9-17-31-30-16-6-7-19-33(30)41-34(31)32/h1-23H
InChIKeyKOHLGTYCDCJLDB-UHFFFAOYSA-N
XLogP10.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139441907
2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442031
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442046
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
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 139442167
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139441952
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[7-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442042
2-dibenzothiophen-4-yl-4-[4-(7-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441660
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-4-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 146183251
2-dibenzothiophen-4-yl-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-[7-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 159934634

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine (CID 177119517) is 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is KOHLGTYCDCJLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3S/c1-2-10-24(11-3-1)27-14-8-15-28(22-27)35-38-36(29-21-20-25-12-4-5-13-26(25)23-29)40-37(39-35)32-18-9-17-31-30-16-6-7-19-33(30)41-34(31)32/h1-23H.
What are the key properties of 2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 541.68 g/mol, XLogP of 10.06, 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-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 177119517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).