4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene

C44H26S2 — CID 58323249

IUPAC4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
SMILESc1ccc(-c2ccc3c(-c4cccc5c4sc4ccccc45)c4ccccc4c(-c4cccc5c4sc4ccccc45)c3c2)cc1
InChIInChI=1S/C44H26S2/c1-2-12-27(13-3-1)28-24-25-33-38(26-28)42(37-21-11-19-35-30-15-7-9-23-40(30)46-44(35)37)32-17-5-4-16-31(32)41(33)36-20-10-18-34-29-14-6-8-22-39(29)45-43(34)36/h1-26H
InChIKeyIITNWOSEVJIUIB-UHFFFAOYSA-N
MW618.83 g/mol
LogP13.73
Rot. Bonds3

About 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene

4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene (PubChem CID 58323249) has the molecular formula C44H26S2 and a molecular weight of 618.83 g/mol. Its IUPAC name is 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene.

Molecular Properties

Compound Name4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
PubChem CID58323249
Molecular FormulaC44H26S2
Molecular Weight618.83 g/mol
Exact Mass618.15
IUPAC Name4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
SMILESc1ccc(-c2ccc3c(-c4cccc5c4sc4ccccc45)c4ccccc4c(-c4cccc5c4sc4ccccc45)c3c2)cc1
InChIInChI=1S/C44H26S2/c1-2-12-27(13-3-1)28-24-25-33-38(26-28)42(37-21-11-19-35-30-15-7-9-23-40(30)46-44(35)37)32-17-5-4-16-31(32)41(33)36-20-10-18-34-29-14-6-8-22-39(29)45-43(34)36/h1-26H
InChIKeyIITNWOSEVJIUIB-UHFFFAOYSA-N
XLogP13.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.83
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
4-[3-[9-phenyl-10-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261875
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
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
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
CID 163477689
CID 159617411
CID 159617411
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-phenylaniline
CID 169065539

Frequently Asked Questions

What is the IUPAC name of 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene?
The IUPAC name of 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene (CID 58323249) is 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene.
What is the SMILES notation for 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene?
The canonical SMILES for 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene is c1ccc(-c2ccc3c(-c4cccc5c4sc4ccccc45)c4ccccc4c(-c4cccc5c4sc4ccccc45)c3c2)cc1.
What is the InChIKey of 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene?
The InChIKey is IITNWOSEVJIUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26S2/c1-2-12-27(13-3-1)28-24-25-33-38(26-28)42(37-21-11-19-35-30-15-7-9-23-40(30)46-44(35)37)32-17-5-4-16-31(32)41(33)36-20-10-18-34-29-14-6-8-22-39(29)45-43(34)36/h1-26H.
What are the key properties of 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene?
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene has a molecular weight of 618.83 g/mol, XLogP of 13.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene is sourced from PubChem (CID 58323249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).