4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene

C32H24S — CID 123178339

IUPAC4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene
SMILESCC=Cc1c(C)cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc12
InChIInChI=1S/C32H24S/c1-3-9-24-21(2)20-30(27-11-5-4-10-26(24)27)23-18-16-22(17-19-23)25-13-8-14-29-28-12-6-7-15-31(28)33-32(25)29/h3-20H,1-2H3
InChIKeyYPJUZMHXNQFABX-UHFFFAOYSA-N
MW440.61 g/mol
LogP9.88
Rot. Bonds3

About 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene

4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene (PubChem CID 123178339) has the molecular formula C32H24S and a molecular weight of 440.61 g/mol. Its IUPAC name is 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene
PubChem CID123178339
Molecular FormulaC32H24S
Molecular Weight440.61 g/mol
Exact Mass440.16
IUPAC Name4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene
SMILESCC=Cc1c(C)cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc12
InChIInChI=1S/C32H24S/c1-3-9-24-21(2)20-30(27-11-5-4-10-26(24)27)23-18-16-22(17-19-23)25-13-8-14-29-28-12-6-7-15-31(28)33-32(25)29/h3-20H,1-2H3
InChIKeyYPJUZMHXNQFABX-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[4-[3-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenyl]-2,5-dimethylphenyl]dibenzothiophene
CID 59386402
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
2,9-bis(4-dibenzothiophen-4-ylphenyl)-4,7-dimethyl-1,10-phenanthroline
CID 90050277
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene?
The IUPAC name of 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene (CID 123178339) is 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene.
What is the SMILES notation for 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene?
The canonical SMILES for 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene is CC=Cc1c(C)cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc12.
What is the InChIKey of 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene?
The InChIKey is YPJUZMHXNQFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24S/c1-3-9-24-21(2)20-30(27-11-5-4-10-26(24)27)23-18-16-22(17-19-23)25-13-8-14-29-28-12-6-7-15-31(28)33-32(25)29/h3-20H,1-2H3.
What are the key properties of 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene?
4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene has a molecular weight of 440.61 g/mol, XLogP of 9.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene is sourced from PubChem (CID 123178339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).