4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene

C40H26S — CID 59133620

IUPAC4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C40H26S/c1-3-12-27(13-4-1)29-24-30(28-14-5-2-6-15-28)26-31(25-29)32-22-23-35(34-17-8-7-16-33(32)34)37-19-11-20-38-36-18-9-10-21-39(36)41-40(37)38/h1-26H
InChIKeyYULXALKLPKKFNM-UHFFFAOYSA-N
MW538.72 g/mol
LogP11.88
Rot. Bonds4

About 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene

4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene (PubChem CID 59133620) has the molecular formula C40H26S and a molecular weight of 538.72 g/mol. Its IUPAC name is 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene.

Molecular Properties

Compound Name4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
PubChem CID59133620
Molecular FormulaC40H26S
Molecular Weight538.72 g/mol
Exact Mass538.18
IUPAC Name4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C40H26S/c1-3-12-27(13-4-1)29-24-30(28-14-5-2-6-15-28)26-31(25-29)32-22-23-35(34-17-8-7-16-33(32)34)37-19-11-20-38-36-18-9-10-21-39(36)41-40(37)38/h1-26H
InChIKeyYULXALKLPKKFNM-UHFFFAOYSA-N
XLogP11.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.72
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromo-5-phenylphenyl)dibenzothiophene
CID 142380549
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
4-[3-phenyl-5-(7-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 170411136
3-[3,5-di(dibenzothiophen-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354722
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632515
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632160

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene?
The IUPAC name of 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene (CID 59133620) is 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene.
What is the SMILES notation for 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene?
The canonical SMILES for 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)c2)cc1.
What is the InChIKey of 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene?
The InChIKey is YULXALKLPKKFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26S/c1-3-12-27(13-4-1)29-24-30(28-14-5-2-6-15-28)26-31(25-29)32-22-23-35(34-17-8-7-16-33(32)34)37-19-11-20-38-36-18-9-10-21-39(36)41-40(37)38/h1-26H.
What are the key properties of 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene?
4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene has a molecular weight of 538.72 g/mol, XLogP of 11.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene is sourced from PubChem (CID 59133620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).