2,5-dinaphthalen-1-yl-3,4-diphenylthiophene

C36H24S — CID 23626359

IUPAC2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
SMILESc1ccc(-c2c(-c3cccc4ccccc34)sc(-c3cccc4ccccc34)c2-c2ccccc2)cc1
InChIInChI=1S/C36H24S/c1-3-15-27(16-4-1)33-34(28-17-5-2-6-18-28)36(32-24-12-20-26-14-8-10-22-30(26)32)37-35(33)31-23-11-19-25-13-7-9-21-29(25)31/h1-24H
InChIKeyZFADBSAOULJKRZ-UHFFFAOYSA-N
MW488.66 g/mol
LogP10.72
Rot. Bonds4

About 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene

2,5-dinaphthalen-1-yl-3,4-diphenylthiophene (PubChem CID 23626359) has the molecular formula C36H24S and a molecular weight of 488.66 g/mol. Its IUPAC name is 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene.

Molecular Properties

Compound Name2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
PubChem CID23626359
Molecular FormulaC36H24S
Molecular Weight488.66 g/mol
Exact Mass488.16
IUPAC Name2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
SMILESc1ccc(-c2c(-c3cccc4ccccc34)sc(-c3cccc4ccccc34)c2-c2ccccc2)cc1
InChIInChI=1S/C36H24S/c1-3-15-27(16-4-1)33-34(28-17-5-2-6-18-28)36(32-24-12-20-26-14-8-10-22-30(26)32)37-35(33)31-23-11-19-25-13-7-9-21-29(25)31/h1-24H
InChIKeyZFADBSAOULJKRZ-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.66
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297409
1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran
CID 167273811
N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118459286
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
1-methyl-3-naphthalen-1-yl-2-benzothiophene
CID 122577332
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905

Frequently Asked Questions

What is the IUPAC name of 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene?
The IUPAC name of 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene (CID 23626359) is 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene.
What is the SMILES notation for 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene?
The canonical SMILES for 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene is c1ccc(-c2c(-c3cccc4ccccc34)sc(-c3cccc4ccccc34)c2-c2ccccc2)cc1.
What is the InChIKey of 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene?
The InChIKey is ZFADBSAOULJKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S/c1-3-15-27(16-4-1)33-34(28-17-5-2-6-18-28)36(32-24-12-20-26-14-8-10-22-30(26)32)37-35(33)31-23-11-19-25-13-7-9-21-29(25)31/h1-24H.
What are the key properties of 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene?
2,5-dinaphthalen-1-yl-3,4-diphenylthiophene has a molecular weight of 488.66 g/mol, XLogP of 10.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinaphthalen-1-yl-3,4-diphenylthiophene is sourced from PubChem (CID 23626359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).