2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene

C36H24S2 — CID 163579356

IUPAC2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene
SMILESC1=CC2Sc3ccc(-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)cc3C2C=C1
InChIInChI=1S/C36H24S2/c1-3-13-33-29(11-1)31-21-27(15-17-35(31)37-33)25-9-5-7-23(19-25)24-8-6-10-26(20-24)28-16-18-36-32(22-28)30-12-2-4-14-34(30)38-36/h1-22,29,33H
InChIKeyGGEXKBSXVLWAFN-UHFFFAOYSA-N
MW520.72 g/mol
LogP10.74
Rot. Bonds3

About 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene

2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene (PubChem CID 163579356) has the molecular formula C36H24S2 and a molecular weight of 520.72 g/mol. Its IUPAC name is 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene
PubChem CID163579356
Molecular FormulaC36H24S2
Molecular Weight520.72 g/mol
Exact Mass520.13
IUPAC Name2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene
SMILESC1=CC2Sc3ccc(-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)cc3C2C=C1
InChIInChI=1S/C36H24S2/c1-3-13-33-29(11-1)31-21-27(15-17-35(31)37-33)25-9-5-7-23(19-25)24-8-6-10-26(20-24)28-16-18-36-32(22-28)30-12-2-4-14-34(30)38-36/h1-22,29,33H
InChIKeyGGEXKBSXVLWAFN-UHFFFAOYSA-N
XLogP10.74
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 ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole
CID 144650069
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole
CID 164832563
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
11-[3-[3-[4-(5a,9a-dihydrodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 166917497
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2-(4-iodophenyl)dibenzothiophene
CID 118465203
2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
CID 170397972

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene?
The IUPAC name of 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene (CID 163579356) is 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene.
What is the SMILES notation for 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene?
The canonical SMILES for 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene is C1=CC2Sc3ccc(-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)cc3C2C=C1.
What is the InChIKey of 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene?
The InChIKey is GGEXKBSXVLWAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S2/c1-3-13-33-29(11-1)31-21-27(15-17-35(31)37-33)25-9-5-7-23(19-25)24-8-6-10-26(20-24)28-16-18-36-32(22-28)30-12-2-4-14-34(30)38-36/h1-22,29,33H.
What are the key properties of 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene?
2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene has a molecular weight of 520.72 g/mol, XLogP of 10.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 163579356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).