4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene

C42H28S — CID 141356979

IUPAC4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cccc(-c3ccc4sc5c(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C42H28S/c1-4-12-29(13-5-1)32-18-10-20-34(24-32)36-22-23-41-39(26-36)40-28-37(27-38(42(40)43-41)31-16-8-3-9-17-31)35-21-11-19-33(25-35)30-14-6-2-7-15-30/h1-28H
InChIKeyQTYPPOMRVNFEEI-UHFFFAOYSA-N
MW564.75 g/mol
LogP12.39
Rot. Bonds5

About 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene

4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene (PubChem CID 141356979) has the molecular formula C42H28S and a molecular weight of 564.75 g/mol. Its IUPAC name is 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
PubChem CID141356979
Molecular FormulaC42H28S
Molecular Weight564.75 g/mol
Exact Mass564.19
IUPAC Name4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cccc(-c3ccc4sc5c(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C42H28S/c1-4-12-29(13-5-1)32-18-10-20-34(24-32)36-22-23-41-39(26-36)40-28-37(27-38(42(40)43-41)31-16-8-3-9-17-31)35-21-11-19-33(25-35)30-14-6-2-7-15-30/h1-28H
InChIKeyQTYPPOMRVNFEEI-UHFFFAOYSA-N
XLogP12.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.75
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332069
2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332064
4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349921
3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole
CID 66799481
3-[4-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-4,5-diphenyl-1,2,4-triazole
CID 58518659
6,11-bis[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417069
4,6-bis[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrimidine;4,6-bis[3-(6-phenyldibenzothiophen-4-yl)phenyl]pyrimidine;4,6-bis[3-(2,6,8-triphenyldibenzothiophen-4-yl)phenyl]pyrimidine
CID 158243456
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
CID 160811980
2-[4-(2,8-diphenyldibenzothiophen-4-yl)phenyl]-1,3-benzoxazole
CID 67608627
3-[3-[3-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425352
2-[4-[2,8-bis(4-tert-butylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332081

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene?
The IUPAC name of 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene (CID 141356979) is 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene?
The canonical SMILES for 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene is c1ccc(-c2cccc(-c3ccc4sc5c(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.
What is the InChIKey of 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene?
The InChIKey is QTYPPOMRVNFEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28S/c1-4-12-29(13-5-1)32-18-10-20-34(24-32)36-22-23-41-39(26-36)40-28-37(27-38(42(40)43-41)31-16-8-3-9-17-31)35-21-11-19-33(25-35)30-14-6-2-7-15-30/h1-28H.
What are the key properties of 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene?
4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene has a molecular weight of 564.75 g/mol, XLogP of 12.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 141356979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).