3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline

C48H30N4S — CID 155033256

IUPAC3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc6ccccc6c5)sc5c4c(-c4ccccc4)nc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C48H30N4S/c1-4-15-33(16-5-1)43-42-41(44(38-29-24-31-14-10-11-21-37(31)30-38)53-45(42)39-22-12-13-23-40(39)49-43)32-25-27-36(28-26-32)48-51-46(34-17-6-2-7-18-34)50-47(52-48)35-19-8-3-9-20-35/h1-30H
InChIKeyMWYVOIZLXOCHEU-UHFFFAOYSA-N
MW694.86 g/mol
LogP12.79
Rot. Bonds6

About 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline (PubChem CID 155033256) has the molecular formula C48H30N4S and a molecular weight of 694.86 g/mol. Its IUPAC name is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline
PubChem CID155033256
Molecular FormulaC48H30N4S
Molecular Weight694.86 g/mol
Exact Mass694.22
IUPAC Name3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc6ccccc6c5)sc5c4c(-c4ccccc4)nc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C48H30N4S/c1-4-15-33(16-5-1)43-42-41(44(38-29-24-31-14-10-11-21-37(31)30-38)53-45(42)39-22-12-13-23-40(39)49-43)32-25-27-36(28-26-32)48-51-46(34-17-6-2-7-18-34)50-47(52-48)35-19-8-3-9-20-35/h1-30H
InChIKeyMWYVOIZLXOCHEU-UHFFFAOYSA-N
XLogP12.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.86
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716114
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716843
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164971665
2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716782
4-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716711
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 165093225
2-(3,5-diphenylphenyl)-3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
CID 165029552
2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline
CID 165020295
2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716451
4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716078

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline?
The IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline (CID 155033256) is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline.
What is the SMILES notation for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline?
The canonical SMILES for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc6ccccc6c5)sc5c4c(-c4ccccc4)nc4ccccc45)cc3)n2)cc1.
What is the InChIKey of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline?
The InChIKey is MWYVOIZLXOCHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4S/c1-4-15-33(16-5-1)43-42-41(44(38-29-24-31-14-10-11-21-37(31)30-38)53-45(42)39-22-12-13-23-40(39)49-43)32-25-27-36(28-26-32)48-51-46(34-17-6-2-7-18-34)50-47(52-48)35-19-8-3-9-20-35/h1-30H.
What are the key properties of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline?
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline has a molecular weight of 694.86 g/mol, XLogP of 12.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline is sourced from PubChem (CID 155033256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).