4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene

C36H24S2 — CID 70991547

IUPAC4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene
SMILESC1=Cc2sc3c(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)cccc3c2CC1
InChIInChI=1S/C36H24S2/c1-3-19-33-29(13-1)31-17-7-15-27(35(31)37-33)25-11-5-9-23(21-25)24-10-6-12-26(22-24)28-16-8-18-32-30-14-2-4-20-34(30)38-36(28)32/h1,3-13,15-22H,2,14H2
InChIKeyZHHUCDCLHNOTNQ-UHFFFAOYSA-N
MW520.72 g/mol
LogP11.23
Rot. Bonds3

About 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene

4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene (PubChem CID 70991547) has the molecular formula C36H24S2 and a molecular weight of 520.72 g/mol. Its IUPAC name is 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene
PubChem CID70991547
Molecular FormulaC36H24S2
Molecular Weight520.72 g/mol
Exact Mass520.13
IUPAC Name4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene
SMILESC1=Cc2sc3c(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)cccc3c2CC1
InChIInChI=1S/C36H24S2/c1-3-19-33-29(13-1)31-17-7-15-27(35(31)37-33)25-11-5-9-23(21-25)24-10-6-12-26(22-24)28-16-8-18-32-30-14-2-4-20-34(30)38-36(28)32/h1,3-13,15-22H,2,14H2
InChIKeyZHHUCDCLHNOTNQ-UHFFFAOYSA-N
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1Z,6E)-5-[3-dibenzothiophen-4-yl-5-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-3-methylidene-7-phenyl-8H-4-benzazecine
CID 166796346
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene
CID 166954900
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-7,10-dihydro-6H-cyclohepta[b][1]benzothiole
CID 123422142
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 118346451
[8-(dibenzothiophene-4-carbonyl)dibenzothiophen-2-yl]-(8,9-dihydrodibenzothiophen-4-yl)methanone
CID 91599500
21-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-9-thia-21-azaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),22,24,26-tridecaene
CID 142289844
4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
2-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]dibenzothiophene;4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene;4-[3-[4-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 158944259

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene?
The IUPAC name of 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene (CID 70991547) is 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene is C1=Cc2sc3c(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)cccc3c2CC1.
What is the InChIKey of 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene?
The InChIKey is ZHHUCDCLHNOTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S2/c1-3-19-33-29(13-1)31-17-7-15-27(35(31)37-33)25-11-5-9-23(21-25)24-10-6-12-26(22-24)28-16-8-18-32-30-14-2-4-20-34(30)38-36(28)32/h1,3-13,15-22H,2,14H2.
What are the key properties of 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene?
4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene has a molecular weight of 520.72 g/mol, XLogP of 11.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 70991547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).