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

C51H31N3S — CID 139442311

IUPAC2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)nc(-c5cccc6c5sc5ccccc56)n4)cc3)ccc2c1
InChIInChI=1S/C51H31N3S/c1-2-13-36-31-37(28-25-32(36)11-1)33-23-26-35(27-24-33)49-52-50(54-51(53-49)46-21-10-20-44-43-18-7-8-22-47(43)55-48(44)46)45-30-29-42(40-16-5-6-17-41(40)45)39-19-9-14-34-12-3-4-15-38(34)39/h1-31H
InChIKeyCPVWJQZHMKVTGL-UHFFFAOYSA-N
MW717.90 g/mol
LogP14.03
Rot. Bonds5

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

2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (PubChem CID 139442311) has the molecular formula C51H31N3S and a molecular weight of 717.90 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
PubChem CID139442311
Molecular FormulaC51H31N3S
Molecular Weight717.90 g/mol
Exact Mass717.22
IUPAC Name2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)nc(-c5cccc6c5sc5ccccc56)n4)cc3)ccc2c1
InChIInChI=1S/C51H31N3S/c1-2-13-36-31-37(28-25-32(36)11-1)33-23-26-35(27-24-33)49-52-50(54-51(53-49)46-21-10-20-44-43-18-7-8-22-47(43)55-48(44)46)45-30-29-42(40-16-5-6-17-41(40)45)39-19-9-14-34-12-3-4-15-38(34)39/h1-31H
InChIKeyCPVWJQZHMKVTGL-UHFFFAOYSA-N
XLogP14.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.90
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441760
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 158835508
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-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139441907
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-(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-phenylphenyl)-1,3,5-triazine
CID 139441895
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139441787
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-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2-dibenzothiophen-4-yl-4-[4-(7-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441660

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine (CID 139442311) is 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is c1ccc2cc(-c3ccc(-c4nc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)nc(-c5cccc6c5sc5ccccc56)n4)cc3)ccc2c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is CPVWJQZHMKVTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S/c1-2-13-36-31-37(28-25-32(36)11-1)33-23-26-35(27-24-33)49-52-50(54-51(53-49)46-21-10-20-44-43-18-7-8-22-47(43)55-48(44)46)45-30-29-42(40-16-5-6-17-41(40)45)39-19-9-14-34-12-3-4-15-38(34)39/h1-31H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 717.90 g/mol, XLogP of 14.03, 5 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-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139442311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).