4-(3-biphenylen-2-ylphenyl)dibenzothiophene

C30H18S — CID 172750240

IUPAC4-(3-biphenylen-2-ylphenyl)dibenzothiophene
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2-3)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C30H18S/c1-2-10-24-23(9-1)25-16-15-20(18-28(24)25)19-7-5-8-21(17-19)22-12-6-13-27-26-11-3-4-14-29(26)31-30(22)27/h1-18H
InChIKeyKGRWIPZDOQBPNU-UHFFFAOYSA-N
MW410.54 g/mol
LogP9.04
Rot. Bonds2

About 4-(3-biphenylen-2-ylphenyl)dibenzothiophene

4-(3-biphenylen-2-ylphenyl)dibenzothiophene (PubChem CID 172750240) has the molecular formula C30H18S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-(3-biphenylen-2-ylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-(3-biphenylen-2-ylphenyl)dibenzothiophene
PubChem CID172750240
Molecular FormulaC30H18S
Molecular Weight410.54 g/mol
Exact Mass410.11
IUPAC Name4-(3-biphenylen-2-ylphenyl)dibenzothiophene
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2-3)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C30H18S/c1-2-10-24-23(9-1)25-16-15-20(18-28(24)25)19-7-5-8-21(17-19)22-12-6-13-27-26-11-3-4-14-29(26)31-30(22)27/h1-18H
InChIKeyKGRWIPZDOQBPNU-UHFFFAOYSA-N
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
CID 146655582
2-[6-[4-[6-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]-3-(6-phenyldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]-6-triphenylen-2-yldibenzothiophene
CID 134203852
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[10-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]triphenylen-2-yl]-3-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]dibenzothiophene
CID 155102375
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120
3-(4-triphenylen-2-yldibenzothiophen-2-yl)-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 134492219
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
2-[2-(6-phenyldibenzothiophen-4-yl)-4-triphenylen-2-ylphenyl]-4-triphenylen-2-yldibenzothiophene
CID 166739913
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989

Frequently Asked Questions

What is the IUPAC name of 4-(3-biphenylen-2-ylphenyl)dibenzothiophene?
The IUPAC name of 4-(3-biphenylen-2-ylphenyl)dibenzothiophene (CID 172750240) is 4-(3-biphenylen-2-ylphenyl)dibenzothiophene.
What is the SMILES notation for 4-(3-biphenylen-2-ylphenyl)dibenzothiophene?
The canonical SMILES for 4-(3-biphenylen-2-ylphenyl)dibenzothiophene is c1cc(-c2ccc3c(c2)-c2ccccc2-3)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 4-(3-biphenylen-2-ylphenyl)dibenzothiophene?
The InChIKey is KGRWIPZDOQBPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18S/c1-2-10-24-23(9-1)25-16-15-20(18-28(24)25)19-7-5-8-21(17-19)22-12-6-13-27-26-11-3-4-14-29(26)31-30(22)27/h1-18H.
What are the key properties of 4-(3-biphenylen-2-ylphenyl)dibenzothiophene?
4-(3-biphenylen-2-ylphenyl)dibenzothiophene has a molecular weight of 410.54 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-biphenylen-2-ylphenyl)dibenzothiophene is sourced from PubChem (CID 172750240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).